20 citations · 20 across the 3 of their papers we have counts for
3 papers
Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers
Guang Hao Low, Nicholas P. Bauman, Christopher E. Granade +9
Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow use…
PB-AM: An Open-Source, Fully Analytical Linear Poisson-Boltzmann Solver
Lisa E. Feldberg, David H. Brookes, Eng-Hui Yap +3
We present the open source distributed software package Poisson-Boltzmann Analytical Method (PB-AM), a fully analytical solution to the linearized Poisson Boltzmann equation, for m…
Bayesian Model Averaging for Ensemble-Based Estimates of Solvation Free Energies
Luke J. Gosink, Christopher C. Overall, Sarah M. Reehl +3
This paper applies the Bayesian Model Averaging (BMA) statistical ensemble technique to estimate small molecule solvation free energies. There is a wide range of methods available…