Managing the overwhelming numbers of molecular states and interactions is a fundamental obstacle to building predictive models of biological systems. Here we introduce the Network-Free Stochastic ...
Are you ready to design a "molecular" machine? Software that is a distant cousin of conventional solidmodeling packages may turn today's designers into molecular engineers. The future of technology is ...
Researchers from Los Alamos National Laboratory, the Max Planck Institute, and Nvidia developed a teacher–student AI ...
Introduction to modern computational methods for calculating thermodynamic, transport, and structural properties of materials. Computational chemistry, molecular simulation, and mesoscopic methods, ...
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 ...
Narayana, S.D.S., Premkumar, T., Sundararajan, V., Ravindran, R., Gunasekaran, S., Madathil, D., Kaliamurthi, S., Peslherbe, G.H., Selvaraj, G*., Lulu, S.S., 2024 ...
Unlock the full InfoQ experience by logging in! Stay updated with your favorite authors and topics, engage with content, and download exclusive resources. Kenneth Harris, a NASA veteran who worked on ...
1.Noriaki Okimoto, Atsushi Suenaga and Makoto Taiji: "Evaluation of protein–ligand affinity prediction using steered molecular dynamics simulations." Journal of Biomolecular Structure and Dynamics.
Learn theory and fundamental principles of molecular simulation techniques nanomechanics and biomechanics. Apply molecular simulation tools to explain nanoscale solid and fluid mechanics phenomena ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback