Publications per year
Publications per year
Publications
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2025
Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction
Sukurma, Z. (Corresponding author), Schlipf, M. (Corresponding author) & Kresse, G. (Corresponding author), 13 May 2025, In: Journal of Chemical Theory and Computation. 21, 9, p. 4481-4493 13 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
2024
Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo
Sukurma, Z. (Corresponding author), Schlipf, M. (Corresponding author), Humer, M. (Corresponding author), Taheridehkordi, A. (Corresponding author) & Kresse, G. (Corresponding author), 28 May 2024, In: Journal of Chemical Theory and Computation. 20, 10, p. 4205–4217 13 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
2023
Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules: Journal of Chemical Theory and Computation
Sukurma, Z. (Corresponding author), Schlipf, M. (Corresponding author), Humer, M. (Corresponding author), Taheridehkordi, A. (Corresponding author) & Kresse, G. (Corresponding author), 8 Aug 2023, In: Journal of Chemical Theory and Computation. 19, 15, p. 4921–4934 14 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids
Taheridehkordi, A. (Corresponding author), Schlipf, M., Sukurma, Z., Humer, M., Grüneis, A. & Kresse, G., 28 Jul 2023, In: Journal of Chemical Physics. 159, 4, 14 p., 044109.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
2022
Approaching the basis-set limit of the dRPA correlation energy with explicitly correlated and projector augmented-wave methods
Humer, M. (Corresponding author), Harding, M. E., Schlipf, M., Taheridehkordi, A., Sukurma, Z., Klopper, W. & Kresse, G., 21 Nov 2022, In: Journal of Chemical Physics. 157, 19, 11 p., 194113.Publications: Contribution to journal › Article › Peer Reviewed
Open Access