Papers
Training models using forces computed by stochastic electronic structure methods
David M. Ceperley, Scott Jensen, Yubo Yang, Hongwei Niu, Carlo Pierleoni, Markus Holzmann
Electronic Structure 6 015011 (2024)
Field induced non-BEC transitions in frustrated magnets
Shouvik Sur, Yi Xu, Shuyi Li, Shou-Shu Gong, Andriy H. Nevidomskyy
Physical Review Letters 132 066701 (2024)
Dipolar Weyl semimetals
Alexander C. Tyner, Shouvik Sur
Physical Review B 109 L081101 (2024)
Registry-dependent potential energy and lattice corrugation of twisted bilayer graphene from quantum Monte Carlo
Kittithat Krongchon, Tawfiqur Rakib, Shivesh Pathak, Elif Ertekin, Harley T. Johnson, Lucas K. Wagner
Physical Review B 108 235403 (2023)
Downfolding from Ab Initio to Interacting Model Hamiltonians: Comprehensive Analysis and Benchmarking
Yueqing Chang, Erik G. C. P. van Loon, Brandon Eskridge, Brian Busemeyer, Miguel A. Morales, Cyrus E. Dreyer, Andrew J. Millis, Shiwei Zhang, Tim O. Wehling, Lucas K. Wagner, Malte Rösner
(2023)
Static Self-Energy and Effective Mass of the Homogeneous Electron Gas from Quantum Monte Carlo Calculations
Markus Holzmann, Francesco Calcavecchia, David M. Ceperley, Valerio Olevano
Physical Review Letters 131 186501 (2023)
Helical dislocation in twisted bilayer graphene
Tawfiqur Rakib, Pascal Pochet, Elif Ertekin, Harley T. Johnson
Extreme Mechanics Letters 63 102053 (2023)
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, Cooper Lorsung, Kittithat Krongchon, Yueqing Chang, Yiqing Zhou, Brian Busemeyer, Kiel T. Williams, Alexander Muñoz, Chun Yu Chow, Lucas K. Wagner
The Journal of Chemical Physics 158 114801 (2023)
Neutral band gap of carbon by quantum Monte Carlo methods
V. Gorelov, Y. Yang, M. Ruggeri, D. M. Ceperley, C. Pierleoni, M. Holzmann
Condensed Matter Physics 26 33701 (2023)
Stable Solid Molecular Hydrogen above 900 K from a Machine-Learned Potential Trained with Diffusion Quantum Monte Carlo
Hongwei Niu, Yubo Yang, Scott Jensen, Markus Holzmann, Carlo Pierleoni, David M. Ceperley
Physical Review Letters 130 076102 (2023)
Learning emergent models from $\textit{ab initio}$ many-body calculations
Yueqing Chang, Lucas K. Wagner
(2023)
Shear-coupling of graphene grain boundaries: Elementary mechanisms, effects of topology, and role of buckling
Emil Annevelink, Brian Xu, Harley T. Johnson, Elif Ertekin
Acta Materialia 244 118488 (2023)
Pseudogap effects in the strongly correlated regime of the two-dimensional Fermi gas
S. Ramachandran, S. Jensen, Y. Alhassid
(2022)
Quantification of electron correlation for approximate quantum calculations
Shunyue Yuan, Yueqing Chang, Lucas K. Wagner
The Journal of Chemical Physics 157 194101 (2022)
Interaction-driven quantum anomalous Hall insulator in a Dirac semimetal
Hongyu Lu, Shouvik Sur, Shou-Shu Gong, D. N. Sheng
Physical Review B 106 205105 (2022)
Corrugation-driven symmetry breaking in magic-angle twisted bilayer graphene
Tawfiqur Rakib, Pascal Pochet, Elif Ertekin, Harley T. Johnson
Communications Physics 5 1-7 (2022)
Moiré engineering in van der Waals heterostructures
Tawfiqur Rakib, Pascal Pochet, Elif Ertekin, Harley T. Johnson
Journal of Applied Physics 132 120901 (2022)
Stability and distortion of fcc ${\mathrm{LaH}}_{10}$ with path-integral molecular dynamics
Kevin K. Ly, David M. Ceperley
Physical Review B 106 054106 (2022)
Revisiting the dark matter interpretation of excess rates in semiconductors
Peter Abbamonte, Daniel Baxter, Yonatan Kahn, Gordan Krnjaic, Noah Kurinsky, Bashi Mandava, Lucas K. Wagner
Physical Review D 105 123002 (2022)
Mixed-order topology of Benalcazar-Bernevig-Hughes models
Shouvik Sur, Alexander C. Tyner, Pallab Goswami
(2022)
Accurate tight-binding model for twisted bilayer graphene describes topological flat bands without geometric relaxation
Shivesh Pathak, Tawfiqur Rakib, Run Hou, Andriy Nevidomskyy, Elif Ertekin, Harley T. Johnson, Lucas K. Wagner
Physical Review B 105 115141 (2022)
Inherited topological superconductivity in two-dimensional Dirac semimetals
Chiu Fan Bowen Lo, Hoi Chun Po, Andriy H. Nevidomskyy
Physical Review B 105 104501 (2022)
Phonons of metallic hydrogen with quantum Monte Carlo
Kevin K. Ly, David M. Ceperley
The Journal of Chemical Physics 156 044108 (2022)
An efficient computational framework for charge density estimation in twisted bilayer graphene
Tawfiqur Rakib, Elif Ertekin, Pascal Pochet, Harley T. Johnson
Computational Materials Science 199 110746 (2021)
Insulator-metal quantum phase transition in heavy topological insulators
Shouvik Sur, Pallab Goswami
(2021)
Nontrivial maturation metastate-average state in a one-dimensional long-range Ising spin glass: Above and below the upper critical range
S. Jensen, N. Read, A. P. Young
Physical Review E 104 034105 (2021)
Excited states in variational Monte Carlo using a penalty method
Shivesh Pathak, Brian Busemeyer, João N. B. Rodrigues, Lucas K. Wagner
The Journal of Chemical Physics 154 034101 (2021)
Topologically derived dislocation theory for twist and stretch moir'e superlattices in bilayer graphene
Emil Annevelink, Harley T. Johnson, Elif Ertekin
Physical Review B 102 184107 (2020)
A light weight regularization for wave function parameter gradients in quantum Monte Carlo
Shivesh Pathak, Lucas K. Wagner
AIP Advances 10 085213 (2020)