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 | 300 | 2018 |
Electronic band gaps from quantum Monte Carlo methods Y Yang, V Gorelov, C Pierleoni, DM Ceperley, M Holzmann Physical Review B 101 (8), 085115, 2020 | 52 | 2020 |
Monomer volume fraction profiles in pH responsive planar polyelectrolyte brushes JP Mahalik, Y Yang, C Deodhar, JF Ankner, BS Lokitz, SM Kilbey, ... Journal of Polymer Science Part B: Polymer Physics 54 (10), 956-964, 2016 | 35 | 2016 |
How large are nonadiabatic effects in atomic and diatomic systems? Y Yang, I Kylänpää, NM Tubman, JT Krogel, S Hammes-Schiffer, ... The Journal of chemical physics 143 (12), 2015 | 22 | 2015 |
Stable solid molecular hydrogen above 900 K from a machine-learned potential trained with diffusion quantum Monte Carlo H Niu, Y Yang, S Jensen, M Holzmann, C Pierleoni, DM Ceperley Physical review letters 130 (7), 076102, 2023 | 17 | 2023 |
Direct observation of the momentum distribution and renormalization factor in lithium N Hiraoka, Y Yang, T Hagiya, A Niozu, K Matsuda, S Huotari, ... Physical Review B 101 (16), 165124, 2020 | 15 | 2020 |
Quantum Monte Carlo Compton profiles of solid and liquid lithium Y Yang, N Hiraoka, K Matsuda, M Holzmann, DM Ceperley Physical Review B 101 (16), 165125, 2020 | 14 | 2020 |
Metal-insulator transition in a semiconductor heterobilayer model Y Yang, MA Morales, S Zhang Physical Review Letters 132 (7), 076503, 2024 | 9 | 2024 |
Observation of an electronic microemulsion phase emerging from a quantum crystal-to-liquid transition J Sung, J Wang, I Esterlis, PA Volkov, G Scuri, Y Zhou, E Brutschea, ... arXiv preprint arXiv:2311.18069, 2023 | 7 | 2023 |
Training models using forces computed by stochastic electronic structure methods DM Ceperley, S Jensen, Y Yang, H Niu, C Pierleoni, M Holzmann Electronic Structure 6 (1), 015011, 2024 | 5 | 2024 |
Metal-insulator transition in transition metal dichalcogenide heterobilayer: accurate treatment of interaction Y Yang, M Morales, S Zhang arXiv preprint arXiv:2306.14954, 2023 | 3 | 2023 |
Neutral band gap of carbon by quantum Monte Carlo methods V Gorelov, Y Yang, M Ruggeri, DM Ceperley, C Pierleoni, M Holzmann arXiv preprint arXiv:2303.17944, 2023 | 3 | 2023 |
Stable solid molecular hydrogen above 900K from a machine-learned potential trained with diffusion Quantum Monte Carlo S Jensen, H Niu, Y Yang, M Holzmann, C Pierleoni, D Ceperley APS March Meeting Abstracts 2023, N20. 006, 2023 | 1 | 2023 |
Ferromagnetic semimetal and charge-density wave phases of interacting electrons in a honeycomb moir\'e potential Y Yang, MA Morales, S Zhang arXiv preprint arXiv:2406.01715, 2024 | | 2024 |
Ground state phases of the two-dimension electron gas with a unified variational approach C Smith, Y Chen, R Levy, Y Yang, MA Morales, S Zhang arXiv preprint arXiv:2405.19397, 2024 | | 2024 |
Correlation energy of the two-dimensional homogeneous electron gas with screened Coulomb potential Y Yang, Y Yang, K Chen, M Morales, S Zhang Bulletin of the American Physical Society, 2024 | | 2024 |
Itinerant magnetism in moiré heterobilayer Y Yang, S Zhang, M Morales APS March Meeting Abstracts 2023, Y21. 002, 2023 | | 2023 |
Machine-learned interatomic potentials of dense hydrogen from diffusion Monte Carlo S Jensen, Y Yang, H Niu, M Holzmann, C Pierleoni, D Ceperley APS March Meeting Abstracts 2022, D24. 009, 2022 | | 2022 |
Optimized Basis Sets for Electron Correlation in Solids: Energies and 1RDM Y Yang, M Morales APS March Meeting Abstracts 2022, D49. 012, 2022 | | 2022 |
Melting line of dense hydrogen from hierarchical machine learning using diffusion Monte Carlo data H Niu, Y Yang, S Jensen, M Holzmann, C Pierleoni, D Ceperley APS March Meeting Abstracts 2021, F23. 001, 2021 | | 2021 |