Loading publications…
The last 5 uploaded publications
Melting Si: Beyond Density Functional Theory
Florian Dorner, Zoran Sukurma, Christoph Dellago, Kresse Georg (2018). Melting Si: Beyond Density Functional Theory. Physical Review Letters, 121(19), DOI: 10.1103/physrevlett.121.195701.
Article179 days agoSelf-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction
Zoran Sukurma, Martin Schlipf, Kresse Georg (2025). Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction. arXiv (Cornell University), DOI: 10.48550/arxiv.2501.12765.
Preprint170 days agoBenchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
Zoran Sukurma, Martin Schlipf, Moritz Humer, Amir Taheridehkordi, Kresse Georg (2023). Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules. Journal of Chemical Theory and Computation, 19(15), pp. 4921-4934, DOI: 10.1021/acs.jctc.3c00322.
Article170 days agoRPA natural orbitals and their application to post-Hartree-Fock electronic structure methods
Benjamin Ramberger, Zoran Sukurma, Tobias Schäfer, Kresse Georg (2019). RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods. The Journal of Chemical Physics, 151(21), DOI: 10.1063/1.5128415.
Article170 days agoPhaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids
Amir Taheridehkordi, Martin Schlipf, Zoran Sukurma, Moritz Humer, Andreas Grüneis, Kresse Georg (2023). Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids. The Journal of Chemical Physics, 159(4), DOI: 10.1063/5.0156657.
Article170 days ago