237 citations · 2.5k across the 60 of their papers we have counts for
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cond-mat.mtrl-sci2023★ 1 cited
Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods
Vitaly Gorelov, Markus Holzmann, David M. Ceperley +1
We study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5-90 GPa pressures using Quantum Monte Carlo methods and Many-Body Pertu…
cond-mat.mtrl-sci2023★ 11 cited
Training models using forces computed by stochastic electronic structure methods
David M. Ceperley, Scott Jensen, Yubo Yang +3
Quantum Monte Carlo (QMC) can play a very important role in generating accurate data needed for constructing potential energy surfaces. We argue that QMC has advantages in terms of…
cond-mat.mtrl-sci2023★ 5 cited
Neutral band gap of carbon by quantum Monte Carlo methods
V. Gorelov, Y. Yang, M. Ruggeri +3
We present a method of calculating the energy gap of a charge-neutral excitation using only ground-state calculations. We report Quantum Monte Carlo calculations of …