290 citations · 503 across the 22 of their papers we have counts for
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High temperature melting of dense molecular hydrogen from machine-learning interatomic potentials trained on quantum Monte Carlo
Shubhang Goswami, Scott Jensen, Yubo Yang +3
We present results and discuss methods for computing the melting temperature of dense molecular hydrogen using a machine learned model trained on quantum Monte Carlo data. In this…
Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method
Norm Tubman, Yubo Yang, Sharon Hammes-Schiffer +1
Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and i…
How Large are Nonadiabatic Effects in Atomic and Diatomic Systems?
Yubo Yang, Ilkka Kylanpaa, Norm Tubman +3
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond ze…