Publications by authors named "Shivesh Pathak"

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Building an ab initio solvated DNA model using Euclidean neural networks.
Alex J Lee, Joshua A Rackers, Shivesh Pathak, William P Bricker

PLoS One· February 2024

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PyQMC: An all-Python real-space quantum Monte Carlo module in PySCF.
William A Wheeler, Shivesh Pathak, Kevin G Kleiner, Shunyue Yuan, João N B Rodrigues

J Chem Phys· March 2023

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Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets.
Shivesh Pathak, Ignacio Ema López, Alex J Lee, William P Bricker, Rafael López Fernández

J Chem Phys· January 2023

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Excited states in variational Monte Carlo using a penalty method.
Shivesh Pathak, Brian Busemeyer, João N B Rodrigues, Lucas K Wagner

J Chem Phys· January 2021

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Non-orthogonal determinants in multi-Slater-Jastrow trial wave functions for fixed-node diffusion Monte Carlo.
Shivesh Pathak, Lucas K Wagner

J Chem Phys· December 2018

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Universal Quake Statistics: From Compressed Nanocrystals to Earthquakes.
Jonathan T Uhl, Shivesh Pathak, Danijel Schorlemmer, Xin Liu, Ryan Swindeman

Sci Rep· November 2015

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