Excited states in variational Monte Carlo using a penalty method
Pathak, Shivesh, Busemeyer, Brian, Rodrigues, João N B, Wagner, Lucas K
Published in The Journal of chemical physics (21.01.2021)
Published in The Journal of chemical physics (21.01.2021)
Get more information
Journal Article
Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets
Pathak, Shivesh, López, Ignacio Ema, Lee, Alex J, Bricker, William P, Fernández, Rafael López, Lehtola, Susi, Rackers, Joshua A
Published in The Journal of chemical physics (07.01.2023)
Published in The Journal of chemical physics (07.01.2023)
Get more information
Journal Article
Building an ab initio solvated DNA model using Euclidean neural networks
Lee, Alex J, Rackers, Joshua A, Pathak, Shivesh, Bricker, William P
Published in PloS one (15.02.2024)
Published in PloS one (15.02.2024)
Get full text
Journal Article
PyQMC: An all-Python real-space quantum Monte Carlo module in PySCF
Wheeler, William A, Pathak, Shivesh, Kleiner, Kevin G, Yuan, Shunyue, Rodrigues, João N B, Lorsung, Cooper, Krongchon, Kittithat, Chang, Yueqing, Zhou, Yiqing, Busemeyer, Brian, Williams, Kiel T, Muñoz, Alexander, Chow, Chun Yu, Wagner, Lucas K
Published in The Journal of chemical physics (21.03.2023)
Published in The Journal of chemical physics (21.03.2023)
Get more information
Journal Article
Universal Quake Statistics: From Compressed Nanocrystals to Earthquakes
Uhl, Jonathan T, Pathak, Shivesh, Schorlemmer, Danijel, Liu, Xin, Swindeman, Ryan, Brinkman, Braden A W, LeBlanc, Michael, Tsekenis, Georgios, Friedman, Nir, Behringer, Robert, Denisov, Dmitry, Schall, Peter, Gu, Xiaojun, Wright, Wendelin J, Hufnagel, Todd, Jennings, Andrew, Greer, Julia R, Liaw, P K, Becker, Thorsten, Dresen, Georg, Dahmen, Karin A
Published in Scientific reports (17.11.2015)
Published in Scientific reports (17.11.2015)
Get full text
Journal Article
Building an ab initio solvated DNA model using Euclidean neural networks
Alex J. Lee, Joshua A. Rackers, Shivesh Pathak, William P. Bricker
Published in PloS one (01.01.2024)
Get full text
Published in PloS one (01.01.2024)
Journal Article
Registry-dependent potential energy and lattice corrugation of twisted bilayer graphene from quantum Monte Carlo
Krongchon, Kittithat, Rakib, Tawfiqur, Pathak, Shivesh, Ertekin, Elif, Johnson, Harley T, Wagner, Lucas K
Published in arXiv.org (12.11.2023)
Published in arXiv.org (12.11.2023)
Get full text
Paper
Journal Article
Requirements for building effective Hamiltonians using quantum-enhanced density matrix downfolding
Pathak, Shivesh, Russo, Antonio E, Seritan, Stefan, Magann, Alicia B, Bobrow, Eric, Landahl, Andrew J, Baczewski, Andrew D
Published in arXiv.org (02.03.2024)
Published in arXiv.org (02.03.2024)
Get full text
Paper
Journal Article
Excited states in variational Monte Carlo using a penalty method
Pathak, Shivesh, Busemeyer, Brian, Rodrigues, João N B, Wagner, Lucas K
Published in arXiv.org (14.10.2021)
Published in arXiv.org (14.10.2021)
Get full text
Paper
Journal Article
An accurate tight binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation
Pathak, Shivesh, Rakib, Tawfiqur, Hou, Run, Nevidomskyy, Andriy, Ertekin, Elif, Johnson, Harley T, Wagner, Lucas K
Published in arXiv.org (07.10.2021)
Published in arXiv.org (07.10.2021)
Get full text
Paper
Journal Article
Accurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets
Pathak, Shivesh, Ignacio Ema López, Lee, Alex J, Bricker, William P, Rafael López Fernández, Lehtola, Susi, Rackers, Joshua A
Published in arXiv.org (19.12.2022)
Published in arXiv.org (19.12.2022)
Get full text
Paper
Journal Article