Molecular Dynamics Simulations are grounded in classical mechanics ... and the creation of more accurate potential models have significantly improved the scope and accuracy of MD simulations.

Atomic simulation plays a crucial role in understanding the spectra and dynamics of ... representation in an ML model, which will contribute to the advancement of molecular simulations in ...

Molecular Dynamics is a computer simulation methodology that analyzes ... The accuracy of the DP [Deep Potential] model stems from the distinctive ability of deep neural networks (DNN) to ...

In a paper published this week in PNAS, researchers at the University of Amsterdam's Van 't Hoff Institute for Molecular Sciences and the Amsterdam Center for Multiscale Modeling provide atomistic ...

A recent study carried out my a group from MIT has introduced MDGen, a generative modeling approach for molecular dynamics ...

In the early 1970s, physicists and physical chemists started to use molecular dynamics simulation to study the behaviour of simple substances such as water and liquids formed from noble gases.

The unfolded protein response (UPR) is a crucial signaling network that preserves endoplasmic reticulum (ER) homeostasis, impacting both health and disease. When ER stress occurs, often due to an ...

Sandia molecular dynamics expert and paper author Stan Moore put it ... continued partnerships with Cerebras and others for both AI and our scientific modeling and simulation missions.” Stan Moore ...