Breakthrough Petascale Quantum Monte Carlo Calculations

Shiwei Zhang, College of William and Mary

Usage Details

Shiwei Zhang, Jeongnim Kim, Lucas Wagner, Simone Chiesa, Wirawan Purwanto, Jeremy McMinis, Ryan Mokos, Elif Ertekin, Yanbin Wu, Adem Kulahlioglu, Norm Tubman, Fengjie Ma, Huihuo Zheng, Chandini Jain, Yudistira Virgus, Hao Shi, Hitesh Changlani

Zhang’s team applies quantum Monte Carlo (QMC) methods for calculations of quantum many-particle systems. They aim to answer a questions about:

1. the properties of hydrogen and hydrogen-helium mixtures in astrophysically relevant conditions,
2. the electronic and magnetic structures of transition metal compounds, phases and properties of fermionic atoms in optical lattices,
3. properties of materials for energy conversion,
4. dynamical QMC simulations of liquid water and other disordered materials.

http://physics.wm.edu/~shiwei/