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Benchmark 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 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 agoToward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo
Zoran Sukurma, Martin Schlipf, Moritz Humer, Amir Taheridehkordi, Kresse Georg (2024). Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo. Journal of Chemical Theory and Computation, 20(10), pp. 4205-4217, DOI: 10.1021/acs.jctc.4c00304.
Article170 days agoTowards Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo
Zoran Sukurma, Martin Schlipf, Moritz Humer, Amir Taheridehkordi, Kresse Georg (2024). Towards Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo. arXiv (Cornell University), DOI: 10.48550/arxiv.2403.02542.
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. arXiv (Cornell University), DOI: 10.48550/arxiv.2303.04256.
Preprint170 days ago