A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with molecular simulations. As a proof of concept, the group successfully synthesized ...
A research team from the University of Xiamen has developed a machine learning potential specifically for Pt-water interfaces. This research harnessed machine learning molecular dynamics to uncover ...
AI, ML, and statistical algorithms guide solubilization method selection, demonstrated with compound CVN424. In a poster presentation at AAPS PharmSci 360, by Dineli Ranathunga, PhD, indicates that AI ...
Researchers from Radical AI have published a paper describing TorchSim, a next-generation open-source atomistic simulation ...
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 ...
A research team at the University of Xiamen has created a machine learning potential for Pt-water interfaces. This study used molecular dynamics machine learning to uncover the complex interactions at ...
10don MSN
Molecular dynamics simulations use atomistic force field to capture RNA folding with high accuracy
Ribonucleic acid (RNA) is one of life's most versatile molecules, with roles going far beyond being a messenger of genetic ...
Imagine being able to program materials to control heat like you can control a light with a dimmer switch. By simply squeezing or stretching the materials, you can make them hotter or colder.
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