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
330 2018 QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo PRC Kent, A Annaberdiyev, A Benali, MC Bennett, EJ Landinez Borda, ...
The Journal of chemical physics 152 (17), 2020
141 2020 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 (22), 2017
130 2017 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), 2018
92 2018 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), 2018
72 2018 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), 2019
59 2019 Spin-orbit interactions in electronic structure quantum Monte Carlo methods CA Melton, M Zhu, S Guo, A Ambrosetti, F Pederiva, L Mitas
Physical Review A 93 (4), 042502, 2016
36 2016 Quantum Monte Carlo with variable spins CA Melton, MC Bennett, L Mitas
The Journal of Chemical Physics 144 (24), 2016
29 2016 Accurate atomic correlation and total energies for correlation consistent effective core potentials A Annaberdiyev, CA Melton, MC Bennett, G Wang, L Mitas
Journal of Chemical Theory and Computation 16 (3), 1482-1502, 2020
24 2020 Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases A Annaberdiyev, G Wang, CA Melton, MC Bennett, L Mitas
Physical Review B 103 (20), 205206, 2021
23 2021 Review of the second charged-particle transport coefficient code comparison workshop LJ Stanek, A Kononov, SB Hansen, BM Haines, SX Hu, PF Knapp, ...
Physics of Plasmas 31 (5), 2024
18 2024 Many-body electronic structure of CA Melton, L Mitas
Physical Review B 102 (4), 045103, 2020
16 2020 Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations CA Melton, L Mitas
Physical Review E 96 (4), 043305, 2017
14 2017 Transport coefficients of warm dense matter from Kohn-Sham density functional theory CA Melton, RC Clay, KR Cochrane, A Dumi, TA Gardiner, MK Lentz, ...
Physics of Plasmas 31 (4), 2024
7 2024 Projector quantum Monte Carlo with averaged vs explicit spin-orbit effects: Applications to tungsten molecular systems CA Melton, MC Bennett, L Mitas
Journal of Physics and Chemistry of Solids 128, 367-373, 2019
7 2019 Fixed-node and fixed-phase approximations and their relationship to variable spins in quantum Monte Carlo CA Melton, L Mitas
Recent Progress in Quantum Monte Carlo, 1-13, 2016
6 2016 Electronic structure of A Annaberdiyev, CA Melton, G Wang, L Mitas
Physical Review B 106 (7), 075127, 2022
5 2022 Neutrinos and nucleosynthesis in core-collapse supernovae C Fröhlich, J Casanova, M Hempel, M Liebendörfer, CA Melton, A Perego
AIP Conference Proceedings 1604 (1), 178-184, 2014
4 2014 Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction S Duwal, CA McCoy, DH Dolan III, CA Melton, MD Knudson, S Root, ...
Scientific Reports 12 (1), 16777, 2022
1 2022 Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo A Lopez, CA Melton, J Ahn, BM Rubenstein, JT Krogel
arXiv preprint arXiv:2412.14388, 2024
2024 