Learning the Arrow of Time. - Nasim Rahaman; Steffen Wolf 001; Anirudh Goyal; Roman Remme; Yoshua Bengio (CoRR, 2019)

Learning the Arrow of Time for Problems in Reinforcement Learning. - Nasim Rahaman; Steffen Wolf 001; Anirudh Goyal; Roman Remme; Yoshua Bengio (ICLR, 2020)

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory. - Roman Remme; Tobias Kaczun; Maximilian Scheurer; Andreas Dreuw; Fred A. Hamprecht (CoRR, 2023)

Tensor Frames - How To Make Any Message Passing Network Equivariant. - Peter Lippmann; Gerrit Gerhartz; Roman Remme; Fred A. Hamprecht (CoRR, 2024)

Beyond Canonicalization: How Tensorial Messages Improve Equivariant Message Passing. - Peter Lippmann; Gerrit Gerhartz; Roman Remme; Fred A. Hamprecht (ICLR, 2025)

Stable and Accurate Orbital-Free DFT Powered by Machine Learning. - Roman Remme; Tobias Kaczun; Tim Ebert; Christof A. Gehrig; Dominik Geng; Gerrit Gerhartz; Marc K. Ickler; Manuel V. Klockow; Peter Lippmann; Johannes S. Schmidt; Simon Wagner; Andreas Dreuw; et al. (CoRR, 2025)