Discontinuous Methods for Accurate, Massively Parallel Quantum Molecular Dynamics

Research

Lithium-ion batteries have revolutionized consumer electronics and have the potential to do the same for transportation and electrical distribution. In a joint effort, applied mathematicians, computer scientists, and physicists at LLNL, LBL, and UC Berkeley are developing and applying new quantum simulation capabilities to understand the chemistry and dynamics at key interfaces in Li-ion batteries to enable breakthroughs in safety, performance, and lifetime.

Quantum simulation
Pask

John Pask

Lead Principal Investigator for Discontinuous Methods for Accurate, Massively Parallel Quantum Molecular Dynamics

pask1 [at] llnl.gov