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Georg Kresse

faculty of physics and center for computational materials science

128H-index
503Paper Count
41.0WCitation Count
Published Papers 245
Publication Date
Automated workflow for accurate high-throughput GW calculations using plane waves
err2025-11-21
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errOAAI
errLorenzo Varrassi; Florian Ellinger; Espen Flage-Larsen; Michael Wolloch; Georg Kresse; Nicola Marzari; Cesare Franchini
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Evaluating first-principles electron–phonon couplings: consistency across methods and implementations
err2025-10-24
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errOAAI
errKonrad Merkel; Maximilian F X Dorfner; Manuel Engel; Georg Kresse; Frank Ortmann
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Outside Back Cover: Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters
err2025-09-15
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PREAI
errPatrick Lechner; Dr. Gaurab Ganguly; Dr. Michael J. Sahre; Prof. Georg Kresse; Dr. Johannes C. B. Dietschreit; Prof. Leticia González
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Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters
err2025-09-09
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errOAAI
errPatrick Lechner; Dr. Gaurab Ganguly; Dr. Michael J. Sahre; Prof. Georg Kresse; Dr. Johannes C. B. Dietschreit; Prof. Leticia González
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Core-hole induced misalignment between Van Hove singularities and K-edge fine structure in carbon nanotubes
err2025-02-18
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errOAAI
errUnzog, Martin; Tal, Alexey; Melo, Pedro; Senga, Ryosuke; Suenaga, Kazu; Pichler, Thomas; Kresse, Georg
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Structure and Dynamics of the Magnetite(001)/Water Interface from Molecular Dynamics Simulations Based on a Neural Network Potential
err2025-02-13
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errOAAI
errRomano, Salvatore; de Hijes, Pablo Montero; Meier, Matthias; Kresse, Georg; Franchini, Cesare; Dellago, Christoph
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Density isobar of water and melting temperature of ice: Assessing common density functionals
err2024-10-03
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PREAI
errde Hijes, Pablo Montero; Dellago, Christoph; Jinnouchi, Ryosuke; Kresse, Georg
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Machine learning-aided first-principles calculations of redox potentials
err2024-05-20
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errOAAI
errJinnouchi, Ryosuke; Karsai, Ferenc; Kresse, Georg
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Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo
err2024-05-15
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errOAAI
errSukurma, Zoran; Schlipf, Martin; Humer, Moritz; Taheridehkordi, Amir; Kresse, Georg
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Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations
err2024-04-09
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errOAAI
errLiu, Mingfeng; Wang, Jiantao; Hu, Junwei; Liu, Peitao; Niu, Haiyang; Yan, Xuexi; Li, Jiangxu; Yan, Haile; Yang, Bo; Sun, Yan; Chen, Chunlin; Kresse, Georg; Zuo, Liang; Chen, Xing-Qiu
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Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks
err2024-03-20
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errOAAI
errde Hijes, Pablo Montero; Dellago, Christoph; Jinnouchi, Ryosuke; Schmiedmayer, Bernhard; Kresse, Georg
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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
err2023-11-14
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errOAAI
errBosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni
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Machine Learning Density Functionals from the Random-Phase Approximation
err2023-10-06
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errOAAI
errRiemelmoser, Stefan; Verdi, Carla; Kaltak, Merzuk; Kresse, Georg
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Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids
err2023-07-26
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errOAAI
errTaheridehkordi, Amir; Schlipf, Martin; Sukurma, Zoran; Humer, Moritz; Grueneis, Andreas; Kresse, Georg
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Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
err2023-07-20
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errOAAI
errSukurma, Zoran; Schlipf, Martin; Humer, Moritz; Taheridehkordi, Amir; Kresse, Georg
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