Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...
The exascale- class Frontier supercomputer set a new standard for calculating the number of atoms in a molecular dynamics simulation 1,000 times greater in size and speed than previous simulations of ...
Wafer Scale Engine Unlocks 1.1 Million Simulations Steps/Sec, Enabling Scientists to Perform Two Years’ Worth of GPU-Based Simulations in a Single Day on Cerebras SUNNYVALE, Calif.--(BUSINESS ...
Sandia National Laboratories announced today a new speed record in molecular dynamics simulation. A collaborative research team ran simulations using the Cerebras Wafer Scale Engine (WSE) processor ...
Molecular dynamics (MD) simulations have emerged as a pivotal tool in elucidating the microscopic processes underpinning lubrication phenomena. These computational methods allow researchers to model ...
Researchers have made a meaningful advance in the simulation of molecular electron transfer -- a fundamental process underpinning countless physical, chemical and biological processes. The study ...
Model shows the role of intrinsically disordered proteins in biomolecular condensate viscoelasticity
Molecular dynamics simulations yield thermodynamic and time-dependent behavior, elucidating the role of intrinsically ...
Molten carbon can form into either diamond or graphite. A new study shows how graphite can sometimes form even under conditions that should lead to diamond. (Getty Images) The graphite found in your ...
Molecular dynamics simulations and free energy calculations of the self-assembly process of carbon nanotube porins reveal ...
Researchers at University of Jyväskylä (Finland) advance understanding of gold nanocluster behavior at elevated temperatures ...
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