NeuralNEB - Neural Networks can find Reaction Paths Fast. - Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Ole Winther (CoRR, 2022)

Transition1x - a Dataset for Building Generalizable Reactive Machine Learning Potentials. - Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Jonas Busk; Ole Winther (CoRR, 2022)

NeuralNEB - neural networks can find reaction paths fast. - Mathias Schreiner; Arghya Bhowmik; Tejs Vegge; Peter Bjørn Jørgensen; Ole Winther (Mach. Learn. Sci. Technol., 2022)

Implicit Transfer Operator Learning: Multiple Time-Resolution Models for Molecular Dynamics. - Mathias Schreiner; Ole Winther; Simon Olsson (NeurIPS, 2023)

Boltzmann priors for Implicit Transfer Operators. - Juan Viguera Diez; Mathias Jacob Schreiner; Ola Engkvist; Simon Olsson (ICLR, 2025)

Minimum-Excess-Work Guidance. - Christopher Kolloff; Tobias Höppe; Emmanouil Angelis; Mathias Jacob Schreiner; Stefan Bauer; Andrea Dittadi; Simon Olsson (CoRR, 2025)