Stefan Chmiela

13 papers Journal 12Unranked 1

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Learning Hamiltonian Flow Maps: Mean Flow Consistency for Large-Timestep Molecular Dynamics. CoRR Winfried Ripken, Michael Plainer, Gregor Lied, J. Thorben Frank, Oliver T. Unke, Stefan Chmiela, Frank Noé, Klaus-Robert Müller
2025	J	`jnl`	Atomic orbits in molecules and materials for improving machine learning force fields. Mach. Learn. Sci. Technol. Anton Charkin-Gorbulin, Artem Kokorin, Huziel E. Sauceda, Stefan Chmiela, Claudio Quarti, David Beljonne, Alexandre Tkatchenko, Igor Poltavsky
2025	J	`jnl`	Sampling 3D Molecular Conformers with Diffusion Transformers. CoRR J. Thorben Frank, Winfried Ripken, Gregor Lied, Klaus-Robert Müller, Oliver T. Unke, Stefan Chmiela
2024	J	`jnl`	Euclidean Fast Attention: Machine Learning Global Atomic Representations at Linear Cost. CoRR J. Thorben Frank, Stefan Chmiela, Klaus-Robert Müller, Oliver T. Unke
2023	J	`jnl`	From Peptides to Nanostructures: A Euclidean Transformer for Fast and Stable Machine Learned Force Fields. CoRR J. Thorben Frank, Oliver T. Unke, Klaus-Robert Müller, Stefan Chmiela
2023	J	`jnl`	Local Function Complexity for Active Learning via Mixture of Gaussian Processes. Trans. Mach. Learn. Res. Danny Panknin, Stefan Chmiela, Klaus-Robert Müller, Shinichi Nakajima
2022	J	`jnl`	Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields. CoRR Niklas Frederik Schmitz, Klaus-Robert Müller, Stefan Chmiela
2022	J	`jnl`	Reconstructing Kernel-based Machine Learning Force Fields with Super-linear Convergence. CoRR Stefan Blücher, Klaus-Robert Müller, Stefan Chmiela
2021	J	`jnl`	BIGDML: Towards Exact Machine Learning Force Fields for Materials. CoRR Huziel E. Sauceda, Luis E. Gálvez-González, Stefan Chmiela, Lauro Oliver Paz-Borbón, Klaus-Robert Müller, Alexandre Tkatchenko
2021	J	`jnl`	Detect the Interactions that Matter in Matter: Geometric Attention for Many-Body Systems. CoRR J. Thorben Frank, Stefan Chmiela
2021	J	`jnl`	SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects. CoRR Oliver T. Unke, Stefan Chmiela, Michael Gastegger, Kristof T. Schütt, Huziel E. Sauceda, Klaus-Robert Müller
2019	J	`jnl`	sGDML: Constructing accurate and data efficient molecular force fields using machine learning. Comput. Phys. Commun. Stefan Chmiela, Huziel Enoc Sauceda Felix, Igor Poltavsky, Klaus-Robert Müller, Alexandre Tkatchenko
2017	—	`conf`	SchNet: A continuous-filter convolutional neural network for modeling quantum interactions. NIPS Kristof Schütt, Pieter-Jan Kindermans, Huziel Enoc Sauceda Felix, Stefan Chmiela, Alexandre Tkatchenko, Klaus-Robert Müller