IEEE

Optimization of Reactive Force Field Simulation: Refactor, Parallelization, and Vectorization for Interactions

Abstract: Molecular dynamics (MD) simulations are playing an increasingly important role in many areas ranging from chemical materials to biological molecules. With the continuing development of MD ...
C&EN

A Transferable Force Field for Predicting Adsorption and Diffusion of Small Molecules in Alkali Metal Exchanged Zeolites with Coupled Cluster Accuracy

School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0100, United States Article Views are the COUNTER-compliant sum of full text article downloads ...
IEEE

Magnetic Field-Priority Force Control for Automated Manipulation in Large Workspaces With Reconfigurable Electromagnetic Actuation System

Abstract: Rapid technological advancements in remote-controlled magnetic robots that operate inside the human body have strongly stimulated the development of magnetic actuation systems owing to their ...
C&EN

Martini on the Rocks: Can a Coarse-Grained Force Field Model Crystals?

You are free to share (copy and redistribute) this article in any medium or format and to adapt (remix, transform, and build upon) the material for any purpose, even commercially within the parameters ...