Abstract: The Quantum Mechanics Based Polarizable Force Field for Simulations of Complex Materials: Application to Water System (2018 AIChE Annual Meeting)

537477 The Quantum Mechanics Based Polarizable Force Field for Simulations of Complex Materials: Application to Water System

Saber Naserifar, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA and William A. Goddard III, Chemistry and Chemical Engineering Division, California Institute of Technology, Pasadena, CA

See more of this Session: Development of Intermolecular Potential Models
See more of this Group/Topical: Engineering Sciences and Fundamentals