Abstract: Achieving Large Scale Quantum-Accurate Reactive Molecular Dynamics: The Chebyshev Interaction Model for Efficient Simulations (ChIMES) (2018 AIChE Annual Meeting)

526426 Achieving Large Scale Quantum-Accurate Reactive Molecular Dynamics: The Chebyshev Interaction Model for Efficient Simulations (ChIMES)

Rebecca Lindsey, Laurence E. Fried, Sorin Bastea and Nir Goldman, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA

See more of this Session: Recent Advances in Force Fields
See more of this Group/Topical: Engineering Sciences and Fundamentals