JS
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