2021 Annual Meeting

Session: Development of Intermolecular Potential Models

Chair

Rai, N., Mississippi State University

Co-Chair

Rajput, N. N., Tufts University

Presentations

03:30 PM

(637a) Revisiting the Trappe Force Field for Organophosphorus Compounds: Sarin, DMMP, and Dimp

03:45 PM

(637b) Development of a Coarse Grained Discontinuous Molecular Dynamics Forcefield for Peptoids

04:00 PM

(637c) Data-Driven Many-Body Models for Molecular Fluids

04:15 PM

(637d) Development of All-Atomistic Polarizable Force Fields for Molecular Simulations of Electronic Polarization Effects in Interfacial Phenomena

04:30 PM

(637e) Benchmark of Topology Automated Force-Field Interactions (TAFFI)

04:45 PM

(637f) Developing Phase-Transferable Machine Learning Force Fields of Molten Salts

05:00 PM

(637g) Interface Force Field for sp3 Diamond Crystal Structures: Regression-Driven Development

05:15 PM

(637h) Integrated Strategy for Formulation of Realistic Potential Models for Simulation of Block Copolymers

05:30 PM

(637i) Development of Coarse-Grained Forcefields for the Self-Assembly of Ceramide-Based Lipid Membranes

05:45 PM

(637j) Development and Benchmarking of Small Molecule Force Fields in the Open Force Field Initiative