42 citations · 159 across the 14 of their papers we have counts for
Showing 2019Show all
2 papers · 1 filter
cond-mat.mtrl-sci2019★ 42 cited
Electronic band gaps from Quantum Monte Carlo methods
Yubo Yang, Vitaly Gorelov, Carlo Pierleoni +2
We develop a method for calculating the fundamental electronic gap of semiconductors and insulators using grand canonical Quantum Monte Carlo simulations. We discuss the origin of…
cond-mat.mtrl-sci2019★ 41 cited
Energy gap closure of crystalline molecular hydrogen with pressure
Vitaly Gorelov, Markus Holzmann, David M. Ceperley +1
We study the gap closure with pressure of crystalline molecular hydrogen. The gaps are obtained from grand-canonical Quantum Monte Carlo methods properly extended to quantum and th…