Quantum mechanical research simulation. Medical search. Frequent questions

In addition, he is leading together with three other senior scientist a 25-person research group doing quantum mechanical, classical and mesoscale atomistic simulations of radiation and other non-equilibrium effects in all classes of materials. (helsinki.fi)
In conjunction with the experiments, detailed quantum mechanical and semi-empirical atomistic simulations are conducted to unravel the energetics of the atomic-scale reconstruction mechanisms. (uu.nl)
In the former projects atomistic and coarse-grained molecular dynamics and Monte Carlo simulations will be used together with experimental techniques such as scattering and circular dichroism, whereas the third project is focused on atomistic simulations solely. (lu.se)
We perform atomistic simulations at two levels, classical as well as quantum-mechanical. (uni-stuttgart.de)

The group of computational physics has in its use methods covering many time and length scales, starting from quantum mechanical calculations at atomic level and picosecond time scales and up to continuum modeling of materials and macroscopic times scales. (helsinki.fi)
Therefore one often restricts calculations to classical molecular dynamics simulations for an atomic level description. (cecam.org)
Force-field-based simulations can handle large systems and are several orders of magnitude faster (and computational cheaper) than quantum-based calculations. (cecam.org)
These were calculated using high-accuracy quantum mechanical calculations, which are only possible for systems containing a few hundred atoms. (sciencedaily.com)
By developing AI to accurately predict atomic interactions faster than the compute-heavy simulations scientists rely on today, calculations that take modern laboratories days could instead take seconds. (meta.com)
The Open Catalyst team uses a comparatively small number of DFT calculations to train more efficient ML models on the fundamental physics governing quantum mechanics to learn how to predict the forces exerted on atoms by each other and the overall system energy. (meta.com)
Unfeasible chemistry and materials science calculations are about to be made possible with quantum computing. (deloitte.com)
The Frontera system enables Isayev to scale up his research, reaching a record of three million calculations in 24 hours. (insidehpc.com)
Applications of quantum chemical calculations to investigations of molecular and materials properties, as well as development and applications of classical reaction dynamics simulations. (lu.se)
Improvement of drug-candidate binding affinities by quantum mechanical calculations. (lu.se)
The theoretical basis for the description of intermolecular interactions and their consequences are treated using both quantum chemical calculations and statistical mechanical simulations. (lu.se)
We mostly used molecular mechanics (MM) in order to model the protein-ligand interactions, which is more approximate than quantum-mechanical (QM) methods, but necessary to reduce the computational cost when doing calculations on protein-ligand systems, which often contain tens of thousand of atoms. (lu.se)
In quantum meachanics, calculations provide the probability for different outcomes of a measurement. (lu.se)

The goal was to develop Ca-ion batteries instead of Lithium-ion ones , and the scientists claim that their research will help guide future experimental efforts. (autoevolution.com)
The primary benefit of such an approach is the ability to isolate individual factors through creative simulation design, which would otherwise be untenable in experimental systems. (aiche.org)
Experimental materials physics uses ion beams, x-rays and synchrotron light for fundamental and applied research. (helsinki.fi)
Using various kinds of ion beams has a long tradition in basic and applied research in experimental materials physics at the University of Helsinki. (helsinki.fi)
Fusion research has a lot of exciting problems for applying these techniques and gaining new insights from experimental and simulated data. (helsinki.fi)
Adam works on improving machine learning methods for magnetic fusion devices, namely i) developing models for core-edge integration in tokamaks based on experimental and simulation data ii) improving the workflows of ML researchers in fusion by developing standardized data accessing/publishing methods. (helsinki.fi)
Optimized material parameters (see below) resulted in good experimental agreement for optical transitions in colloidal quantum dots [ J_2001_4 , J_2002_3 ]. (purdue.edu)
Linear Response of Coupled Quantum Dots - Proposed experiment on conductance spectroscopy in coupled quantum dots and analyzed experimental feasibility [ J_1994_1 , J_1994_2 ]. (purdue.edu)
Quantum coherences and their effects on spectroscopy of large molecular aggregates are a very exciting issue these days due to recent experimental progress on both biological and synthetic samples showing unexpected long coherence times in large disordered systems. (cecam.org)
Nowadays, for instance, molecular dynamics simulations and experimental photophysical methodologies reach similar time scales, and spatial resolution is being added to many spectroscopic apparatus, turning them into microscopes. (cecam.org)
The research at the Division of Chemical Physics spans over a wide range of experimental and theoretical projects. (laserlab-europe.eu)
In this broad context, atomic-scale computer simulations are acquiring an increasingly important role in accelerating materials design, discovery, and characterization in synergy with experimental efforts. (anl.gov)
Thanks to this collaboration, she developed a strong interest in working with experimental groups and learned that theory and simulations can not only uncover the rich information in experimental data, but also discover new structures and mechanisms that are testable by experiments. (rutgers.edu)
We focus on experimental and theoretical studies of transport and quantum many-body physics, as well as on application aspects of nanostructures and quantum devices made from semiconductor heterostructures and nanowires, and emerging new materials. (lu.se)
Our simulations are targeted to specific experimental designs and allow both to understand the underlying physics and to optimize electro-optical devices. (lu.se)
The course is compulsory for all graduate students at KILU and recommanded for other graduate students at KC that have experimental research or teaching. (lu.se)

The team adopted a systematic approach, which involved running quantum mechanical simulations based on density functional theory. (autoevolution.com)
Hij is expert op het gebied van transmissie electronenmicroscopie (TEM) en density functional theory (DFT) berekeningen, en past deze experimentele en theoretische methodes toe op nanodeeltjes en nanokristallen die bijzondere eigenschappen hebben. (uu.nl)
We use a combination of theoretical and computational methods, such as density functional theory and molecular dynamics simulations, to study the properties of materials at different length and time scales. (uni-stuttgart.de)
Experimentalists using standard synthesis methods can try 10 materials per day, while a modern computational laboratory using quantum mechanical simulation tools such as density functional theory (DFT) can run 40,000 simulations per year. (meta.com)

The research studied superlattice structures composed of clusters with cores of 44 silver atoms each. (scitechdaily.com)
Demonstrated the simulation of a system as large as 32 million atoms. (purdue.edu)
A supercomputer simulation model that rapidly predicts the behavior of billions of interacting atoms has captured the melting of diamond when compressed by extreme pressures and temperatures. (sciencedaily.com)
In order to gain a fundamental understanding of the process, the researchers ran computationally intensive molecular dynamics simulations of up to 600,000 atoms. (gauss-centre.eu)
To study the mechanisms of these viruses, Kasson and his team combine microscopic research with computer models of the virus, built one atom at a time, and then simulate the mechanics of how the atoms would interact. (insidehpc.com)
By using this energy function, short molecular dynamics simulations enable all atoms to move for specified intervals within the constraints of their interactions. (cdc.gov)
Quantum dots behave as artificial atoms but with properties that can be changed during the experiments using electric and magnetic fields. (lu.se)

We review recent advances in device-scale modeling of quantum dot based single-photonsources and laser diodes by self-consistently coupling the optical Maxwell equations with semi-classical carrier transport models using semi-classical and fully quantum mechanical descriptionsof the optically active region, respectively. (wias-berlin.de)
The Matter, Light and Quantum Theories research theme includes research groups that seek to understand fundamental details of the interactions of light with matter and to develop mixed classical-quantum and fully quantum mechanical treatments of light. (uea.ac.uk)
As detailed above a fully quantum-mechanical treatment of static and/or dynamical properties is out of reach for bigger molecules within an environment such as a surrounding liquid or protein structure. (cecam.org)
They recently reported the first fully quantum mechanical simulation of a protein-size spin system - something that was previously believed to be fundamentally impossible due to computational complexity of the task. (southampton.ac.uk)

GPU) by means of state-of-the-art quantum Monte Carlo (QMC) codes we aim to make accurate predictions in silico at the nanoscale, targeting the faithful simulation of a fully consistent quantum mechanical electron problem. (utwente.nl)
Researchers from the Organic Synthesis Facility at Berkeley Lab's Molecular Foundry, a research center specializing in nanoscale science, designed a polymer to keep the sulfur in close proximity to the electrode by selectively binding the sulfur molecules, counteracting its migratory tendencies. (nersc.gov)

Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties. (wikipedia.org)
The system was also studied experimentally by a research group headed by Terry Bigioni, an associate professor in the Department of Chemistry and Biochemistry at the University of Toledo. (scitechdaily.com)
The TREX Center of Excellence (CoE) aims at developing, promoting, and maintaining open-source high-performance software solutions in the field of quantum chemistry, which are ready to take advantage of upcoming exascale architectures. (utwente.nl)
We can now reliably and efficiently model sulfur chemistry within these binders based on learning from detailed quantum mechanical simulations of the dissolved sulfur-containing products," stated Prendergast. (nersc.gov)
Maginn , who joined the Notre Dame faculty in 1995, was cited for "distinguished contributions to increased energy conversion efficiency and 'green' chemistry through the computational simulation and modeling of the characterization, synthesis and behavior of ionic liquids. (nd.edu)
Stockholm University seeks to recruit a candidate for a PhD position working on new approaches for spectrum simulations with state-of-the-art quantum chemistry. (laserlab-europe.eu)
The research interests in the Molecular Dynamics Quantum Chemistry group range from accurate quantum mechanical studies of small molecules to realistic simulations of eletrolyte solutions and photovoltaic materials. (laserlab-europe.eu)
New approaches for spectrum simulations are developed with state-of-the-art quantum chemistry, and in particlar dynamical effects on chemical and electronic processes are investigated. (laserlab-europe.eu)
For the latter, we take advantage of highly scalable ab initio molecular dynamics simulations to explore the diverse coordination chemistry of zinc ions. (gauss-centre.eu)
It could soon transform health care and life sciences, manufacturing and production, energy, technology, and other industries that leverage quantum chemistry, a discipline that aims to correctly predict the chemical and physical properties and behaviours of molecules and materials. (deloitte.com)
Quantum chemistry is showing early signs of becoming one of quantum computing's killer apps. (deloitte.com)
Lu enhanced her rich experience during her time spent with two different theoretical chemistry research groups. (rutgers.edu)
In addition, as Dr. Wang found her passion for theoretical chemistry when doing undergraduate research with Professor Shuhua Li in Nanjing University in China, she strongly encourages undergraduate students to participate in research. (rutgers.edu)
In particular I will mention logistics optimisation, quantum chemistry and protein folding. (lu.se)

All local atomic structures that emerged in the large-scale simulations were well-represented in the small-scale training data, a necessary condition for accuracy. (sciencedaily.com)
IK's Spin Dynamics Group at the University of Southampton are currently global leaders in large-scale simulations of magnetic resonance systems: they invented linear complexity scaling methods for time-domain spin dynamics. (southampton.ac.uk)

These are based on the fundamental laws of quantum mechanics and thus yield a much higher precision than empirical methods. (bsc.es)
Our research project aims to develop a method for accurately and efficiently computing the properties of strongly correlated materials using quantum mechanics principles and models. (rit.edu)
This is an opportunity to learn about the application of quantum mechanics principles and models to real material applications and to contribute to the development of a cutting-edge method for studying these materials. (rit.edu)
If a quantum computer is expanded by just one single computer bit then its computing power is immediately doubled due to the laws of quantum mechanics on which it is based. (phys.org)
The information is typically encoded in the polarization of the photons and security is ensured intrinsically via principles of quantum mechanics such as the no-cloning theorem. (wias-berlin.de)
This research theme also includes researchers based in the School of Mathematics, who have a strong focus on fluid mechanics and nonlinear physics, inviting collaborations with Environmental Scientists who are experts in the physics of waves. (uea.ac.uk)
Dr Davide Proment recently contributed to the discovery of a partial solution to the Fermi-Pasta-Ulam problem using physics equations drawn from wave turbulence theory, and Dr Hayder Salman has a research focus on nonlinear waves, nonequilibrium statistical mechanics, and turbulence with applications to Bose-Einstein condensates and superfluids. (uea.ac.uk)
Ganesh Balasubramanian, assistant professor of Mechanical Engineering and Mechanics at Lehigh University, was among the early users of Frontera, studying the dynamics of organic photovoltaic materials. (insidehpc.com)
Both research groups have a strong emphasis on using quantum mechanics and statistical mechanics to solve chemical and biological problems. (rutgers.edu)
We have shown ( 3 ) that a method using the classical AMBER03 molecular mechanics force field ( 4 ) with an implicit solvation model in combination with short molecular dynamics simulations in YASARA ( 5 ) can reproduce relative preference for human-like α2,6-linked versus avian-like α2,3-linked sialic acid receptors. (cdc.gov)

In this context, quantum Monte Carlo (QMC) methods are first-principle electronic structure approaches that provide a stochastic solution to the Schrödinger equation and are placed at the high-end in the accuracy ladder of electronic structure methods, representing a powerful tool when conventional techniques such as DFT are not reliable. (lu.se)

The Biological Physics and Soft Matter Group group focuses on the theory and simulations of biologically relevant soft matter systems. (helsinki.fi)

With this, we gain a microscopic quantum-mechanical description of the complex electronic interactions ubiquitous in systems of technological interest. (tcd.ie)
We use all aspects of light-matter interactions for fundamental and applied research on materials. (helsinki.fi)
Examples of research topics include biomembranes, membrane proteins, sugars, and DNA, and the interactions of these molecular complexes with drugs and other signaling molecules. (helsinki.fi)
For example, Prof. David Andrews leads the quantum electrodynamics research group at UEA and has made major contributions to the development of the theory of molecular interactions, and light-molecule interactions. (uea.ac.uk)
The team's simulations relied on SNAP, one of the leading machine-learning descriptions of interatomic interactions, to model and solve a very important problem, said Thompson. (sciencedaily.com)
To investigate the optical and transport properties of halide perovskites and plasmonic ceramics, the team will employ the EPW code, an open-source software package for first-principles quantum-mechanical simulations of electron-phonon interactions and related temperature-dependent materials properties which is supported by the DOE Computational Materials Science program. (anl.gov)
The research program is focused on intermolecular interactions and their manifestations in a liquid environment. (lu.se)

Current focus areas for domain data models include atomistic simulation (classical and quantum mechanical), diffractometry, and electron microscopy. (nist.gov)
Comprehensive Quantum Electron Transport - Principal designer and developer of the NEMO software. (purdue.edu)
NEMO is the world's first comprehensive 1-D quantum electron transport simulator including effects due to charging, multiple bands and scattering. (purdue.edu)
2-D Linear Response - Analyzed anomalous Quantum Hall Effect in 2-D electron gas syst. (purdue.edu)
In this master thesis project, we will extend and enhance our existing Python-based program to perform microkinetic simulations of the chemical reactions occurring in cells following electron or x-ray irradiation. (lu.se)

Within that, there are three repeated advantages to employing advanced machine learning techniques into your R&D process: enhanced screening of candidates & scoping research areas, reducing the number of experiments to develop a new material (and therefore time to market), and finding new materials or relationships. (idtechex.com)
Modeling, Experiments and Simulations of turbulent boundary layers: role of initial conditions and bio-inspired micro-surfaces on evolution of velocity/thermal fields. (purdue.edu)
In particular, simulations make it possible to test the impact of external influences on the sensitive quantum system and to discover how to compensate for resulting errors, providing valuable findings for laboratory experiments. (phys.org)
8-9 An integral aspect of these past studies was the development and use of hierarchical (or multiscale) computer simulations that rigorously bridge insights from quantum mechanical (QM), molecular, and coarse-grained (CG) resolutions to connect with experiments. (aiche.org)
Despite the reliance on an army of high-powered technologies, computational molecular simulation is iterative, time-consuming, and based on meticulous trial-and-error experiments. (deloitte.com)
Combining the Qubits with other superconducting circuitry makes it possible to realize systems that are suitable for quantum information, quantum simulation and quantum optics experiments. (iqoqi.at)
We divide our research activities in three main experiments. (iqoqi.at)
Our research areas among other things include quantum information, quantum computing, quantum optics, experiments using slow light (a few km/s), ultra-stable lasers and medical imaging. (lu.se)

The first structures that are analyzed are quantum dots. (purdue.edu)
Studied effects due to atomic alloy disorder and interface interdiffusion in quantum dots. (purdue.edu)
High Bias Coulomb Blockade - Initiated analysis of high bias transport in quantum dots. (purdue.edu)
Such light sources with close to ideal optical and quantum optical properties can be realized by self-assembled semiconductor quantum dots. (wias-berlin.de)
Besides, Luís Carlos said, luminescent nanoparticles (quantum dots and nanocrystals with lanthanide ions) emerge in diagnostic techniques and also in treatments, such as the hyperthermia process. (sbpmat.org.br)
Determine how the principles of LED communication apply to metal halide nanomaterials and quantum dots. (lu.se)
We explore the physics of strongly confined quantum dots in semiconductor nanowires, formed by heterostructures and/or local gate potentials. (lu.se)
Our primary focus is on understanding and controlling spin and orbital states in quantum dots and coupled quantum dots, which are key building blocks in many concepts for quantum information processing. (lu.se)
Individually addressable double quantum dots formed with nanowire polytypes and identified by epitaxial markers. (lu.se)

The Jülich supercomputer JUGENE can now simulate the largest quantum computer system in the world with 42 bits. (phys.org)
For a quantum computer with 42 computer bits you need machines like the Jülich supercomputer JUGENE, which is the fastest computer in Europe with almost 300,000 processors and a computing power of 10 15 floating point operations per second. (phys.org)
A research team led by Prof. Dr. Holger Gohlke and Dr. Carlos Navarro-Retamal have been using the JUWELS supercomputer at the Jülich Supercomputing Centre (JSC) to better understand how plants respond to changes in their environment at a molecular level. (gauss-centre.eu)
With Intel technology, this new supercomputer opens up new possibilities in science and engineering to advance research including cosmic understanding, medical cures and energy needs. (insidehpc.com)
Frontera enables Campanelli and her team to perform complex simulations at a speed two or more times faster than what is possible on any local supercomputer. (insidehpc.com)

On the basis of the simulation software that has now been developed, it will be possible to explore in detail the phenomena and dynamics of quantum-mechanical systems. (phys.org)
Achieve unprecedented high fidelity resolution of carrier transport through 1-D heterostructures and uncovered quite unintuitive quantum transport phenomena [ J_2001_1 , J_2002_5 , J_2001_3 ]. (purdue.edu)
In this "ultra-cold" state of matter, all particles occupy the same quantum-mechanical state, leading to unique phenomena such as superfluidity and topological defects such as monopoles and quantized vortices. (uea.ac.uk)
The mathematical description of such defects is analogous to phenomena appearing in several otherwise different areas of physics - for example in theories of the very early universe - prompting possibilities for using the experimentally very accessible Bose-Einstein condensates as "quantum emulators" of objects and phenomena that may otherwise be difficult to study. (uea.ac.uk)
These include enhanced metrology, secure communication, simulation of other quantum systems or phenomena and quantum computation. (chalmers.se)

This research line aims at the development, implementation and application of ab-initio electronic structure methods. (bsc.es)
His research topics include Big Data, Parallel and Distributed Computing, Distributed Systems, and Verification Methods for Parallel Software. (helsinki.fi)
His research focuses on computational statistical thermodynamics, in which atomistic-level computational methods are developed and utilized to obtain a fundamental understanding of the link between the physical properties of materials and their chemical constitution. (nd.edu)
this includes quantum optimal control , and a programme of research, recently funded by Leverhulme Trust, into the relevant machine learning methods . (southampton.ac.uk)
This research program develops and utilizes advanced computational methods to examine diverse materials classes of immediate interest for solar photovoltaics. (anl.gov)
Under Professor Skinner's supervision, Lu developed simulation-based methods that accurately and efficiently model linear and non-linear vibrational spectroscopy of proteins. (rutgers.edu)
These simulations are used to minimize and finally predict the energies of the wildtype and mutant HA proteins for their ligand-bound and unbound states considering their respective ligands (see Methods section of [ 3 ] for details). (cdc.gov)
Furthermore, QMC methods are among the few approaches in the field of quantum simulations that can fully exploit the potential of upcoming exascale supercomputers. (lu.se)
We try to solve both these problems by developing new simulation algorithms and interaction models, as well as adapting existing methods to new systems. (lu.se)
Much research has been devoted to the development of in vitro and in silico predictive testing methods. (cdc.gov)

1993, twelve years after the discovery of photonics, was the birth of phononic materials for the controlled propagation of mechanical/acoustic waves. (mpg.de)

The superlattice was studied first using quantum-mechanical molecular dynamics simulations conducted in Landman's lab. (scitechdaily.com)
Date: Thu, 7 Jul 94 14:56:52 CDT Subject: Algorithms for Macromolecular Modeling Algorithms for Macromolecular Modeling an interdisciplinary workshop September 30--October 2, 1994 Kansas Institute for Theoretical and Computational Science University of Kansas at Lawrence This is a special workshop on algorithms and parallel implementations for macromolecular dynamics, protein folding, and structure refinement, including the treatment of quantum effects. (netlib.org)
Rahul's specialization is Multiphysics simulations surrounding Computational Fluid Dynamics. (helsinki.fi)
Their large-scale molecular dynamics simulations, conducted on supercomputing resources at Berkeley Lab's National Energy Research Scientific Computing Center (NERSC), confirmed that the polymer has an affinity for binding the mobile sulfur molecules, and also predicted that the polymer would likely show a preference for binding different sulfur species at different states of charge for the battery. (nersc.gov)
Dr Garth Jones works on developing theoretical and computational models related to nonlinear optics and non-Markovian quantum dynamics. (uea.ac.uk)
Therefore an extension of classical molecular-dynamics simulations is needed to treat molecules which behave quantum mechanically within the context of their protein environment which itself can be treated classically. (cecam.org)
Another route is to use classical molecular dynamics simulations at an atomic level to derive the parameter values for a more simplified system-bath model which then can be treated fully quantum mechanically [10-13]. (cecam.org)
Molecular dynamics simulation of the fusion of PbSe nanocrystals (P. Schapotschnikow, M.A. van Huis, H.W. Zandbergen, D. Vanmaekelbergh, T.J.H. Vlugt, Nano letters 10 (2010) 3966-3971). (uu.nl)
It is an object-oriented python toolkit for analysing the structure and dynamics of interfacial and confined fluids from molecular simulations. (uni-stuttgart.de)
Research in her group focuses on using theoretical tools to determine the structure, dynamics and spectroscopy of condensed phase, especially biologically relevant systems. (rutgers.edu)
In addition, because electronic and nuclear quantum effects can dramatically alter the structure and dynamics of hydrogen-containing systems, the Wang group will use novel simulation techniques to explore quantum effects in biological systems ranging from ion channels to fluorescent proteins. (rutgers.edu)
In close collaboration with two other research groups at the University of Wisconsin, they made a joint effort to elucidate the structure, dynamics, and spectroscopy of a peptide that is closely related to type 2 diabetes. (rutgers.edu)
We have assessed and used computational tools for this aim, most of them based on molecular dynamics (MD) simulations. (lu.se)
Molecular dynamics simulations offer a fantastic opportunity to see how proteins work. (lu.se)

In order to build a quantum computer we in Lund are using rare-earth ions that are doped into crystals. (lu.se)

His current projects include ACH support of the EUROfusion TSVV11 task, in developing the surrogate model QLKNN-edge for QuaLiKiz, and participation to research in the TSVV4 task, in developing a full geometric Vlasov-Maxwell simulation and investigation of the limits of gyrokinetic simulations at the tokamak edge. (helsinki.fi)
This work implements the resulting reflection function as a boundary condition in continuum kinetic sheath simulations using direct discretization of the Vlasov-Maxwell equations. (aps.org)

You will work with a team of experienced researchers, and have the opportunity to collaborate with colleagues at Rutgers University and the Center for Computational Quantum Physics (CCQ). (rit.edu)
You will work with a team of experienced researchers, and have the opportunity to contribute to the development of a cutting-edge method for studying the quantum matter. (rit.edu)
Researchers of medical physics is engaged in academic research, teaching and clinical physics support services. (helsinki.fi)
David Prendergast, who directs the Foundry's Theory Facility, and Tod Pascal, a project scientist in the Theory Facility, built a simulation to test the researchers' hypotheses about the polymer's behavior. (nersc.gov)
Recognizing the small percentage of women in this field, we would like to highlight the research by female researchers and provide this section as a collection of their papers. (ieeeaps.org)
In this context Chang, who was president of the American Materials Research Society ( MRS ) and founded in 1991 the International Union of Materials Research Societies ( IUMRS ), called upon the young Brazilians [see video below] to be part of a global network released in 2012, which promotes the interaction of young researchers in the field around these global challenges through a biennial conference and virtual platforms. (sbpmat.org.br)
As researchers work toward large-scale, fault-tolerant quantum processor units, announcements of new milestones, investments, and research partnerships have become commonplace. (deloitte.com)
The Frontera system will provide researchers computational and artificial intelligence capabilities that have not existed before for academic research, Trish Damkroger, vice president and general manager, Extreme Computing at Intel. (insidehpc.com)

The world's first high-bias quantum mechanical, simulations of scattering enhanced charging and charge self-consistency of holes and electrons [ J_1995_1 - J_1998_7 , P_1995_4 - P_1998_1 ] for RTDs were generated. (purdue.edu)
At this writing, the world's highest-performing quantum computers don't yet have enough computing power to compete with classical machines. (deloitte.com)

We use ab-initio approaches based on fundamental quantum mechanical principles in order to get highly precise and reliable results. (bsc.es)
An ab initio calculation of the optical and energy/charge transfer processes in these large molecular aggregates is still a very complicated issue and theoreticians are facing several severe problems when trying to model quantum and optical effects in these systems. (cecam.org)

There are four available projects in Ryde research Group. (lu.se)

At the Max Planck Institute for Polymer Research we have taken a closer look at the processes taking place on molecular length scales and thus gained fundamental insights into the chemical reactions at electrodes. (mpg.de)
To fully leverage these opportunities, such systems require inter-disciplinary expertise ranging from fundamental antennas and propagation research, active antennas with applied microwave technologies along with circuits & systems, advanced materials, to AI and machine learning. (ieeeaps.org)
But many fundamental biological processes that involve, for example, the conversion of light into energy forms that are usable for chemical transformations are quantum mechanical in their nature. (cecam.org)
Understanding the fundamental properties of interfaces at the nano-scale, such as electronic and thermal transport, mechanical properties, and chemical reactions. (uni-stuttgart.de)
as well as various other research projects involving the study of fundamental physics, such as the way light interacts with a single atom. (chalmers.se)
A research team led by Prof. Holger Gohlke at the Heinrich Heine University Düsseldorf is using supercomputing resources at the Jülich Supercomputing Centre (JSC) to better understand so-called hyperpolarization-activated cyclic nucleotide-gated (HCN) channels, which serve as crucial ion channels in the membrane for controlling electric pulses in the brain and heart, among other fundamental processes in the body. (gauss-centre.eu)

Our main research lies in the development of multiscale simulation models that can bridge the gap between the microscopic details and the macroscopic behavior of materials. (uni-stuttgart.de)
Our goal is to retrieve effective continuum-like models from the microscopic details, i.e. by starting from a Quantum Mechanical level and by successive upscaling steps, to better understand and predict the behavior of these materials. (uni-stuttgart.de)

i) Rheology of weakly attractive suspensions (computer simulations), ii) Best packing protocols for amorphous samples, tapping or oscillations (computer simulations), iii) Suspensions rheology of particles with tiny anisotropy (computer simulations), iv) Morphology of drying polymer blends (computer simulations together with Petter Persson). (lu.se)

A physicist with a Ph.D. in "Theory and Numerical Simulation in Condensed Matter Systems" from the International School for Advanced Studies (SISSA-ISAS), Dr. Lanatà has held several research positions, including a "Dirac Fellowship" at the National High Magnetic Field Laboratory and assistant professor positions at Aarhus University in Denmark and NORDITA in Sweden. (rit.edu)
Our research project aims to develop a method for accurately and efficiently simulating quantum-mechanical systems using a hybrid quantum-classical framework called Variational Quantum Eigensolver (VQE). (rit.edu)
Whereas today's laboratory prototypes have only reached a size of eight bits, simulation can be used to efficiently investigate the properties of larger systems. (phys.org)
In particular, my research group will focus on systems that are inherently out-of-equilibrium, and elucidate structure-kinetic-function relationships in order to engineer the dynamical behavior at these interfaces. (aiche.org)
Jukka's research interests are in the engineering of large-scale data analytics and machine learning systems. (helsinki.fi)
He uses both semi-classical and full quantum electrodynamical models to investigate resonance energy transfer, quantum decoherence, damping and memory effects associated with open quantum systems. (uea.ac.uk)
An important application in the described field of research are biological as well as artificial light-harvesting systems and solar cells. (cecam.org)
Because of their complexity, there is a whole scientific community treating these problems in open quantum systems. (cecam.org)
Our research focuses on interfaces at the nano-scale, which play a crucial role in multiple technologies such as catalysis, energy storage, and in biological systems. (uni-stuttgart.de)
Through our vision and research in ML, we developed wav2vec, a way to build speech recognition systems that require no transcribed data. (meta.com)
Trapped ion systems are currently one of the most promising technologies for observing and utilising quantum mechanical behaviour. (chalmers.se)
The ALCF provides users with access to supercomputing resources that are significantly more powerful than systems typically used for open scientific research. (anl.gov)
Research in the group around G. Kirchmair is focused on "Circuit Quantum Electrodynamics Systems" consisting of superconducting circuits and superconducting Qubits. (iqoqi.at)
The quantum state of these systems can be controlled and measured by using microwave signals. (iqoqi.at)
In this topical group we discuss a broad area of research including biological systems and materials. (uni-stuttgart.de)
During her postdoctoral research, Lu switched her attention to examining quantum fluctuations in condensed phase systems that contain networks of short hydrogen bonds. (rutgers.edu)
Oliver Stegle is the Head of the Computational Genomics and Systems Genetics Division at the German Cancer Research Center (DKFZ) and group leader at EMBL in Heidelberg, Germany. (lu.se)

Our Group develops and applies state-of-the-art methodology and code for atomistic materials and molecular simulation. (tcd.ie)
For the world record, the Jülich research team and the Computational Physics group of the University of Groningen in the Netherlands developed the simulation software to such a level that it can run efficiently on this large number of processors. (phys.org)
I am a postdoctoral researcher in Prof. Claudia Filippi´s research group working within the TREX Project . (utwente.nl)
Engineering psychology research group! (tu-darmstadt.de)
Several experienced research group leaders can supervise your project, on master level or bachelor level You can click on the name of a supervisor in the list below, to get to each supervisor's web-page where you can for example read a short comment about what the research group is working with, read a recent publication from that group and get the email address to each supervisor. (lu.se)
Several projects are generally available in Persson's research group. (lu.se)

Multiscale Modeling & Simulation. (wikipedia.org)

Contrary to what some may believe, this is not something that will displace research scientists. (idtechex.com)
With quantum computers in their toolkits, scientists will be able to not only conduct more efficient and accurate simulations, but explore molecular and chemical reactions beyond classical computers' current capabilities. (deloitte.com)

Here we use a variety of different approaches ranging from the Pauli master equation, over different types of quantum master equations to Green's function approaches. (lu.se)

Internationally known for her research in the development of solvents, specifically supercritical fluids and ionic liquids, Brennecke's research interests include supercritical fluid technology, ionic liquids, thermodynamics, environmentally benign chemical processing, and carbon dioxide separation, storage and usage. (nd.edu)

This is an opportunity to contribute to cutting-edge research at the forefront of the field by using probabilistic machine learning to mitigate this noise in VQE algorithms. (rit.edu)
Quantum computers will efficiently run algorithms that their classical counterparts can't manage. (deloitte.com)
These simulations conventionally have very high computational cost and are made possible by combining a series of recent advances in both simulation algorithms and computer processor architecture. (rutgers.edu)

In addition to Sandia and USF, the collaborative team also included software developers at the Department of Energy's National Energy Research Scientific Computing Center and the NVIDIA Corporation. (sciencedaily.com)
How can collaborative global research and education benefit the world? (sbpmat.org.br)
The Swedish Research Council (VR) launched a call for collaborative research efforts with an obligation for a long-term support. (lu.se)

This interaction may be modeled from quantum mechanical first principles. (aps.org)

The collaboration aims to take advantage of these for numerical simulation of models describing the scrape-off layer (SOL) plasma. (helsinki.fi)

Studies in the Master's Programme in Materials Research are integrated with research performed by the teachers. (helsinki.fi)
All the main areas of quantum technology are are being researched through an academic excellence programme with a significant input from industrial doctoral students to ensure that the knowledge will be rapidly put to use in industry. (chalmers.se)

The research team took their study one step further by also examining the performance of lithium-sulfur cells made with the new polymer binder. (nersc.gov)
The combined understanding of the synthesis, theory, and characteristics of the new polymer have made it a key component in the prototype lithium-sulfur cell at DOE's Joint Center for Energy Storage Research (JCESR) . (nersc.gov)
Image of a nanopatterned polymer brush obtained from computer simulation, showing flexible polymers (red) grafted onto a narrow stripe (gray) of a planar surface. (lu.se)

This will improve the reliability of quantum computing and unlock new possibilities for simulations of large molecules and solids. (rit.edu)

Theoretical projects would typically involve computer simulation of light matter interaction schemes or light propagation in tissue. (lu.se)

The CiS Research Institute is represented with its own booth in hall 1, booth 501 as well as three scientific contributions at the accompanying conference SMSI 2023 - Sensor and Measurement Science International. (cismst.de)
From May 9 to 11, 2023, we will showcase our latest research results in the field of silicon-based sensor technology at booth 501 in hall 1. (cismst.de)

At several million atmospheres, the rigid carbon lattice of the hardest known substance on Earth is shown in SNAP (Spectral Neighbor Analysis Potential) simulations to crack, melt into amorphous carbon and then recrystallize. (sciencedaily.com)
This multi-billion atom simulation of shockwave propagation into initially uncompressed diamond (blue) uses a high-accuracy SNAP model from Sandia National Laboratories to predict that the final state (orange) is formed by recrystallization of amorphous cracks (red) that take shape in the light blue, green and yellow compressed material. (sciencedaily.com)

Supported by the Air Force Office of Scientific Research and the Office of Basic Energy Sciences in the Department of Energy, the research was reported April 6 in the journal Nature Materials . (scitechdaily.com)
Dr. Lanatà's research interests lie in the study of the quantum-mechanical properties of strongly correlated materials, such as their electronic structure, energy, chemical, and spectral properties. (rit.edu)
The first message I want to convey is that for ambitious goals in materials research, synthesis cannot only be "simple and practical," and the second message is that innovation needs the right people and partners. (mpg.de)
Modern synchrotron light sources have revolutionized x-ray based materials research and we use these international large-scale facilities actively. (helsinki.fi)
Fredric's research field is computational materials physics, with the specialization on high-dose damage in fusion materials and effects of irradiation of surfaces. (helsinki.fi)
Adam is part of the materials science department and works under a EUROfusion eneabling research grant for machine learning on power exhaust in tokamaks. (helsinki.fi)
His research has made many contributions to the areas of photo-induced catalytic reactions and design of next generation solar cells using semiconductor and metal nanoparticles, nanostructures and nanocomposites, advanced materials such as inorganic-organic hybrid assemblies for utilizing renewable energy resources, and environmental remediation. (nd.edu)
This research will provide a detailed atomic-scale understanding of how charge is generated and transported across two classes of materials, halide perovskite and plasmonic ceramics. (anl.gov)
This research focuses on a promising non-standard class of plasmonic materials, namely plasmonic ceramics such as transition metal carbides and nitrides, which exhibit excellent stability in harsh environments and high temperature conditions. (anl.gov)

Pauline's research focuses on building such models through a physics-informed learning based approach, taking advantage of the available measurements. (lu.se)

This research line aims at the development and application of electronic transport simulation tools. (bsc.es)
Wallenberg Centre for Quantum Technology aims to develop and secure Swedish expertise within the main areas of quantum technology: quantum computing, quantum simulation, quantum communications and quantum sensing. (chalmers.se)
The workshop aims to promote the awk tool for use in everyday research work and urges you to find solutions yourself rather than expecting ready-made ones. (lu.se)

In this talk, I'll give a brief overview of the ongoing efforts to build a superconducting quantum computer in the Wallenberg Center for Quantum Technology (WACQT). (lu.se)

As classical simulations cannot provide the correct description of these problems, she utilized simulations techniques that incorporate the quantum mechanical nature of both electrons and nuclei. (rutgers.edu)

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