Princeton researchers have developed a new tool to speed the discovery of advanced materials known as metal organic ...
A research team affiliated with UNIST has reported a new simulation tool to better understand how liquid-phase chemical ...
A genetic mutation passed from mother to children in families affected by schizophrenia has now been shown to completely ...
Using a symmetry-guided design strategy, a research team led by Prof. Junwei Liu from HKUST has predicted 612 monolayer ...
Abstract: DeepMD-kit enables deep learning-based molecular dynamics (MD) simulations that require efficient parallelization to leverage modern HPC architectures. In this work, we optimize DeepMD-kit ...
The prize was awarded to Susumu Kitagawa, Richard Robson and Omar Yaghi for the development of an architecture that some chemists compare with a molecular sponge. By Alexa Robles-Gil and Ali Watkins ...
PoreLab, The Njord Centre, Department of Physics, University of Oslo, Oslo, Norway We study the cavitation bubble that forms as a nano-scale spherical surface is detached from a flat surface using ...
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 ...
June 19, 2025: The Oak Ridge Leadership Computing Facility posted an update on the use of the Frontier exascale-class supercomputer’s role in materials simulations to make carbon fiber stronger and ...
Abstract: Since they offer profound insights into the atomic-level interactions between drug candidates and their biological targets, molecular dynamics (MD) simulations have become extremely ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback