Bigi, Filippo; Abbott, Joseph W.; Loche, Philip; Mazitov, Arslan; Tisi, Davide; Langer, Marcel F.; Goscinski, Alexander; Pegolo, Paolo; Chong, Sanggyu; Goswami, Rohit; Febrer, Pol; Chorna, Sofiia; Kellner, Matthias; Ceriotti, Michele; Fraux, Guillaume
metatensor and metatomic : Foundational libraries for interoperable atomistic machine learning
The Journal of Chemical Physics
2026
164
6

Malosso, Cesare; Bigi, Filippo; Pegolo, Paolo; Abbott, Joseph W.; Loche, Philip; Rossi, Mariana; Ceriotti, Michele; Mazitov, Arslan
High-quality, high-information datasets for universal atomistic machine learning
eprint arXiv:2603.02089
2026

Stärk, Philipp; Stooß, Henrik; Langer, Marcel F.; Rumiantsev, Egor; Schlaich, Alexander; Ceriotti, Michele; Loche, Philip
Simultaneous Learning of Static and Dynamic Charges
arXiv preprint arXiv:2601.03656
2026

Zendehroud, Sina; Kleinjung, Ole; Loche, Philip; Bocquet, Lydéric; Netz, Roland R.; Ipocoana, Erica; Peschka, Dirk; Thomas, Marita
Combined effects of evaporation, sedimentation and solute crystallization on the dynamics of aerosol size distributions on multiple length and time scales
eprint arXiv:2601.05876
2026

Lind, L.; Sandström, H.; Rinke, P.
An interpretable molecular descriptor for machine learning predictions in atmospheric science
The Journal of Chemical Physics
2026
164
8

Toldy, Árpád I.; Pisal, Prajwal; Krejčí, Ondřej; Rinke, Patrick; Santasalo-Aarnio, Annukka
TheMeCat: Dataset of Thermocatalytic Conversion of CO2 to Methanol
Scientific Data
2026
13
1