The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

Introduction to modern computational methods for calculating thermodynamic, transport, and structural properties of materials. Computational chemistry, molecular simulation, and mesoscopic methods, ...

Force spectroscopy relies on the precise measurement of forces acting on a probe as it interacts with a sample. The key principles of force spectroscopy include: AFM-based force spectroscopy is the ...

The Molecular Software Sciences Institute, an industry-academia computer-modeling consortium, has launched an effort to design models for drug discovery. The Open Force Field Consortium, spearheaded ...

A collaborative paper by a team including Dr. Shirts, titled "Escaping Atom Types in Force Fields Using Direct Chemical Perception," was just published in the Journal of Chemical Theory and ...