Molecular kinetic modeling in petroleum processing represents a critical advancement in understanding the intricate reaction mechanisms at the molecular level, thereby enhancing process optimisation ...
A milestone report from the University of Kansas appearing this week in the Proceedings of the National Academy of Sciences proposes a new technique for modeling molecular life with computers.
Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...
Science is a subject built on doing. Students learn chemistry through titrations, biology through dissections, physics ...
2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...
Molecular dynamics simulations yield thermodynamic and time-dependent behavior, elucidating the role of intrinsically ...
Design engineers can use AI-driven simulation to overcome bottlenecks and accelerate materials discovery with hybrid workflow approaches.