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The last 5 uploaded publications
Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks
Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi, Bernhard Schmiedmayer, Kresse Georg (2024). Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks. The Journal of Chemical Physics, 160(11), DOI: 10.1063/5.0197105.
Article364 days agoEvaluating density functionals: case study for organic perovskites
Menno Bokdam, Jonathan Lahnsteiner, Benjamin Ramberger, Tobias Sch afer, Christoph Dellago, Kresse Georg (2017). Evaluating density functionals: case study for organic perovskites. Bulletin of the American Physical Society, 2017
Article346 days agoComputing Gibbs free energy differences by interface pinning
Ulf R. Pedersen, Felix Hummel, Kresse Georg, Gerhard Kahl, Christoph Dellago (2013). Computing Gibbs free energy differences by interface pinning. Physical Review B, 88(9), DOI: 10.1103/physrevb.88.094101.
Article357 days agoMelting 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.
Article357 days agoDensity isobar of water and melting temperature of ice: Assessing common density functionals
Pablo Montero de Hijes, Christoph Dellago, Ryosuke Jinnouchi, Kresse Georg (2024). Density isobar of water and melting temperature of ice: Assessing common density functionals. The Journal of Chemical Physics, 161(13), DOI: 10.1063/5.0227514.
Article347 days ago