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Nature Communications|March 2, 2024
Modelling atomic and nanoscale structure in the silicon-oxygen system through active machine learningLinus C Erhard, Jochen Rohrer, Karsten Albe, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 2, 2025
Machine-learning interatomic potential for BaTiO3: phase transitions, domain walls, and grain boundariesAmit Sehrawat, Karsten Albe, Jochen RohrerACS Applied Materials & Interfaces|October 28, 2021
On the Origin of Zero Interface Resistance in the Li6.25Al0.25La3Zr2O12|Li0 System: An Atomistic InvestigationLisette Haarmann, Jochen Rohrer, Karsten AlbeACS Nano|October 25, 2017
Highly Porous Silicon Embedded in a Ceramic Matrix: A Stable High-Capacity Electrode for Li-Ion BatteriesDragoljub Vrankovic, Magdalena Graczyk-Zajac, Constanze Kalcher, et al.Chemsuschem|March 9, 2023
SiCO Ceramics as Storage Materials for Alkali Metals/Ions: Insights on Structure Moieties from Solid-State NMR and DFT CalculationsEdina Šić, Jochen Rohrer, Emmanuel Iii Ricohermoso, et al.Angewandte Chemie (International Ed. in English)|November 14, 2015
From Atomistic Surface Chemistry to Nanocrystals of Functional ChalcogenidesVolker L Deringer, Richard DronskowskiAngewandte Chemie (International Ed. in English)|December 18, 2025
The Zintl-Klemm Concept in the Amorphous State: A Case Study of Na-P Battery AnodesLitong Wu, Volker L DeringerFrontiers in Chemistry|August 27, 2019
Reactivity of Isocyanate-Functionalized Lignins: A Key Factor for the Preparation of Lignin-Based PolyurethanesMareike Zieglowski, Simon Trosien, Jochen Rohrer, et al.The Journal of Chemical Physics|September 15, 2022
Indirect learning and physically guided validation of interatomic potential modelsJoe D Morrow, Volker L DeringerJournal of Chemical Theory and Computation|March 18, 2026
Li-P-S Electrolyte Materials as a Benchmark for Machine-Learned Interatomic PotentialsNatascia L Fragapane, Volker L DeringerPageof 14