Browse by Author Tkatchenko, Alexandre
Showing results 1 to 9 of 9
| Preview | Issue Date | Title | Author(s) | Editor(s) |
 | 29-Jun-2022 | BIGDML - Towards accurate quantum machine learning force fields for materials | Sauceda, Huziel E.; Sauceda, Huziel E.; Müller, Klaus-Robert; Müller, Klaus-Robert; Tkatchenko, Alexandre; Tkatchenko, Alexandre; Gálvez-González, Luis E.; Gálvez-González, Luis E.; Chmiela, Stefan; Chmiela, Stefan; Paz-Borbón, Lauro Oliver; Paz-Borbón, Lauro Oliver | - |
 | 7-Jul-2021 | Combining machine learning and computational chemistry for predictive insights into chemical systems | Keith, John A.; Vassilev-Galindo, Valentin; Cheng, Bingqing; Chmiela, Stefan; Gastegger, Michael; Müller, Klaus-Robert; Tkatchenko, Alexandre | - |
 | 19-Jan-2021 | Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperature | Sauceda, Huziel E.; Vassilev-Galindo, Valentin; Chmiela, Stefan; Müller, Klaus-Robert; Tkatchenko, Alexandre | - |
| 25-Sep-2019 | Hamiltonian datasets: "Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions"" | Schütt, Kristof T.; Gastegger, Michael; Tkatchenko, Alexandre; Müller, Klaus-Robert; Maurer, Reinhard J. | - |
 | 11-Mar-2021 | Machine learning force fields | Unke, Oliver T.; Chmiela, Stefan; Sauceda, Huziel E.; Gastegger, Michael; Poltavsky, Igor; Schütt, Kristof T.; Tkatchenko, Alexandre; Müller, Klaus-Robert | - |
 | 2017 | Machine learning of accurate energy-conserving molecular force fields | Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert | - |
 | 4-Sep-2013 | Machine learning of molecular electronic properties in chemical compound space | Montavon, Grégoire; Rupp, Matthias; Gobre, Vivekanand; Vazquez-Mayagoitia, Alvaro; Hansen, Katja; Tkatchenko, Alexandre; Müller, Klaus-Robert; Lilienfeld, O Anatole von | - |
 | 24-Sep-2020 | Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields | Sauceda, Huziel E.; Gastegger, Michael; Chmiela, Stefan; Müller, Klaus-Robert; Tkatchenko, Alexandre | - |
 | 10-Sep-2019 | Quantum-Chemical Insights from Interpretable Atomistic Neural Networks | Schütt, Kristof T.; Gastegger, Michael; Tkatchenko, Alexandre; Müller, Klaus-Robert | - |