Nature

This AI has chemical expertise — and helps synthesize 35 new compounds

It uses a system called simplified molecular-input line-entry system (SMILES). This translates chemical 3D structures into ...
C&EN

Simulation of Electrochemical Oxidation in Aqueous Environments under Applied Voltage Using Classical Molecular Dynamics

Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States Department of Chemistry, The Pennsylvania State University, ...