James Stevenson

Publications

• Mayer Bond Order as a Metric of Complexation Effectiveness in Lead Halide Perovskite Solutions
• Uncovering the reaction mechanism initiating the nucleation of lead sulfide quantum dots in a hines synthesis
• Schrodinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space
• Schrodinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space
• OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
• Membrane alternatives in worlds without oxygen: Creation of an azotosome
• Simple Molecular Reactive Force Field for Metal–Organic Synthesis
• Pentacene-based nanorods on Au(111) single crystals: Charge transfer, diffusion, and step-edge barriers
• Computational Implementation of Nudged Elastic Band, Rigid Rotation, and Corresponding Force Optimization
• Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions
• Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions
• High-Dimensional Neural Network Potential for Liquid Electrolyte Simulations
• Machine learning force field ranking of candidate solid electrolyte interphase structures in Li-ion batteries
• Large-scale Atomistic Simulations of Lithium Diffusion in a Graphite Anode with a Machine Learning Force Field