| QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ... Journal of Physics: Condensed Matter 30 (19), 195901, 2018 | 334 | 2018 |
| The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus L Shulenburger, AD Baczewski, Z Zhu, J Guan, D Tomanek Nano Letters 15, 8170−8175, 2015 | 310 | 2015 |
| Review of pulsed power-driven high energy density physics research on Z at Sandia DB Sinars, MA Sweeney, CS Alexander, DJ Ampleford, T Ao, ... Physics of Plasmas 27 (7), 070501, 2020 | 246 | 2020 |
| X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition AD Baczewski, L Shulenburger, MP Desjarlais, SB Hansen, RJ Magyar Physical Review Letters 116, 115004, 2016 | 136 | 2016 |
| A New Generation of Effective Core Potentials for Correlated Calculations MC Bennett, CA Melton, A Annaberdiyev, G Wang, L Shulenburger, ... The Journal of Chemical Physics 147, 224106, 2017 | 129 | 2017 |
| Quantum Monte Carlo applied to solids L Shulenburger, TR Mattsson Physical Review B 88 (24), 245117, 2013 | 102 | 2013 |
| Shock Response and Phase Transitions of MgO at Planetary Impact Conditions S Root, L Shulenburger, RW Lemke, DH Dolan, TR Mattsson, ... Physical Review Letters 115, 198501, 2015 | 99 | 2015 |
| Hybrid algorithms in quantum Monte Carlo J Kim, KP Esler, J McMinis, MA Morales, BK Clark, L Shulenburger, ... Journal of Physics: Conference Series 402 (1), 012008, 2012 | 98 | 2012 |
| A new generation of effective core potentials from correlated calculations: 3d transition metal series A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Shulenburger, ... The Journal of Chemical Physics 149 (13), 134108, 2018 | 91 | 2018 |
| Accelerating quantum Monte Carlo simulations of real materials on GPU clusters KP Esler, J Kim, DM Ceperley, L Shulenburger Computing in Science & Engineering 14 (1), 40-51, 2012 | 89 | 2012 |
| Phase Stability of TiO2 Polymorphs from Diffusion Quantum Monte Carlo Y Luo, A Benali, L Shulenburger, JT Krogel, O Heinonen, PRC Kent New Journal of Physics 18, 113049, 2016 | 87 | 2016 |
| Application of diffusion Monte Carlo to materials dominated by van der Waals interactions A Benali, L Shulenburger, NA Romero, J Kim, OA von Lilienfeld Journal of Chemical Theory and Computation 10 (8), 3417-3422, 2014 | 81 | 2014 |
| Review of the first charged-particle transport coefficient comparison workshop PE Grabowski, SB Hansen, MS Murillo, LG Stanton, FR Graziani, ... High Energy Density Physics 37, 100905, 2020 | 74 | 2020 |
| A new generation of effective core potentials from correlated calculations: 2nd row elements MC Bennett, G Wang, A Annaberdiyev, CA Melton, L Shulenburger, ... The Journal of chemical physics 149 (10), 104108, 2018 | 68 | 2018 |
| Correlation effects in quasi-one-dimensional quantum wires L Shulenburger, M Casula, G Senatore, RM Martin Physical Review B 78 (16), 165303, 2008 | 60 | 2008 |
| A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions G Wang, A Annaberdiyev, CA Melton, MC Bennett, L Shulenburger, ... The Journal of Chemical Physics 151 (14), 144110, 2019 | 57 | 2019 |
| Melting and density of MgSiO3 determined by shock compression of bridgmanite to 1254GPa Y Fei, CT Seagle, JP Townsend, CA McCoy, A Boujibar, P Driscoll, ... Nature Communications 12 (1), 876, 2021 | 49 | 2021 |
| Mechanical and optical response of [100] lithium fluoride to multi-megabar dynamic pressures JP Davis, MD Knudson, L Shulenburger, SD Crockett Journal of Applied Physics 120 (16), 165901, 2016 | 49 | 2016 |
| The principal Hugoniot of forsterite to 950 GPa S Root, JP Townsend, E Davies, RW Lemke, DE Bliss, DE Fratanduono, ... Geophysical Research Letters 45, 3865, 2018 | 42 | 2018 |
| Controlling transient chaos to prevent species extinction L Shulenburger, YC Lai, T Yalcınkaya, RD Holt Physics Letters A 260 (1-2), 156-161, 1999 | 39 | 1999 |
Anouar BenaliTeam Lead, High Performance Elctronic Structure Theory, Qubit PharmaceuticalsVerified email at anl.gov
