Michael Gastegger

Michael Gastegger

Technische Universität Berlin - Berlin / Germany
Engineering & Technology / Computer Science
AD Scientific Index ID: 1765097
Technical University of Berlin TU Berlin
person_outline Michael Gastegger's MOST POPULAR ARTICLES
1-) Machine learning force fieldsOT Unke, S Chmiela, HE Sauceda, M Gastegger, I Poltavsky, KT Schütt, ...Chemical Reviews 121 (16), 10142-10186, 20214042021
2-) Combining machine learning and computational chemistry for predictive insights into chemical systemsJA Keith, V Vassilev-Galindo, B Cheng, S Chmiela, M Gastegger, ...Chemical reviews 121 (16), 9816-9872, 20214982021
3-) Equivariant message passing for the prediction of tensorial properties and molecular spectraK Schütt, O Unke, M GasteggerInternational Conference on Machine Learning, 9377-9388, 20215112021
4-) Machine learning molecular dynamics for the simulation of infrared spectraM Gastegger, J Behler, P MarquetandChemical science 8 (10), 6924-6935, 20175272017
5-) Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctionsKT Schütt, M Gastegger, A Tkatchenko, KR Müller, RJ MaurerNature communications 10 (1), 5024, 20194812019