Loading publications…
The last 5 uploaded publications
Effects of electron-phonon coupling on absorption spectrum: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>K</mml:mi></mml:math> edge of hexagonal boron nitride
Ferenc Karsai, Moritz Humer, Espen Flage−Larsen, Peter Blaha, Kresse Georg (2018). Effects of electron-phonon coupling on absorption spectrum: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>K</mml:mi></mml:math> edge of hexagonal boron nitride. Physical review. B./Physical review. B, 98(23), DOI: 10.1103/physrevb.98.235205.
Article177 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.
Article169 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.
Article169 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.
Article169 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.
Preprint169 days ago