Melting Si: beyond density functional theory F Dorner, Z Sukurma, C Dellago, G Kresse Physical Review Letters 121 (19), 195701, 2018 | 64 | 2018 |
RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods B Ramberger, Z Sukurma, T Schäfer, G Kresse The Journal of chemical physics 151 (21), 2019 | 22 | 2019 |
Benchmark phaseless auxiliary-field quantum Monte Carlo method for small molecules Z Sukurma, M Schlipf, M Humer, A Taheridehkordi, G Kresse Journal of Chemical Theory and Computation 19 (15), 4921-4934, 2023 | 8 | 2023 |
Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids A Taheridehkordi, M Schlipf, Z Sukurma, M Humer, A Grüneis, G Kresse The Journal of chemical physics 159 (4), 2023 | 4 | 2023 |
Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and projector augmented-wave methods M Humer, ME Harding, M Schlipf, A Taheridehkordi, Z Sukurma, ... The Journal of Chemical Physics 157 (19), 2022 | 2 | 2022 |
Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo Z Sukurma, M Schlipf, M Humer, A Taheridehkordi, G Kresse Journal of Chemical Theory and Computation, 2024 | | 2024 |