Molecular dynamics is a method that uses Newton’s equations of motion to computationally simulate the time evolution of a set of interacting atoms. Such techniques are dependent on a description of ...
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Meet Pavan Subramani, 17-year-old wins $25,000 for AI research that could accelerate drug discovery
Pavan Subramani, a 17-year-old Indian-American student from West Virginia, has received a $25,000 Davidson Fellows ...
A new graph neural network framework called AlloPool distills molecular dynamics simulations into minimal, time-resolved ...
For the first time, an international team has tracked at BESSY II how heavy molecules—in this case bromochloromethane—disintegrate into smaller fragments when they absorb X-ray light. Using a newly ...
In a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...
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