FT
Fabian L. Thiemann
cond-mat.mtrl-sciphysics.chem-phphysics.comp-phmachine learning potentialscond-mat.mes-hallcond-mat.softcs.LGdefectsgrapheneaqueous phase
On Valency
published · living versionsW_vcjt8d5e·v1 · currentpublished
Challenging Atomistic Foundation Models on Disordered Carbons
with Joseph Hart, Samuel G. H. Brookes, Christoph Schran
1 version
Preprints & journals
17 papers in the corpus · 2020–2026Challenging Atomistic Foundation Models on Disordered Carbons2610.26701v1 · Joseph Hart, Samuel G. H. Brookes, Fabian L. Thiemann et al.2026 · 0 citationsarXivon Valency
Microscopic origin of polytype-dependent melting in SiC revealed by machine-learning molecular dynamics.42895431 · Stojanović, Ljiljana, Magorrian, Samuel J, Kabalan, Lara et al.2026 · 0 citationsThe Journal of chemical physics. 2026;165(15)
MatterSim-MT: A multi-task foundation model for in silico materials characterization2605.07927v2 · Han Yang, Xixian Liu, Chenxi Hu et al.2026 · 0 citationsarXiv
Better without U: Impact of Selective Hubbard U Correction on Foundational MLIPs2601.21056v1 · Thomas Warford, Fabian L. Thiemann, G'abor Cs'anyi2026 · 1 citationarXiv
Strain-Dependent Wetting of Graphene2601.20134v4 · Darren Wayne Lim, Xavier R. Advincula, William C. Witt et al.2026 · 0 citationsarXiv
Equivariant Interatomic Potentials without Tensor Products2601.15492v1 · Thiago Reschutzegger, Sarp Aykent, Gabriel Jacob Perin et al.2026 · 0 citationsarXiv
Computational tuning of the elastic properties of low- and high-entropy ultra-high temperature ceramics2512.13204v1 · Samuel J. Magorrian, Ljiljana Stojanovi'c, Lara Kabalan et al.2025 · 0 citationsarXiv
Global properties of the energy landscape: a testing and training arena for machine learned potentials2508.16425v1 · Vlad Carare, Fabian L. Thiemann, Joe Morrow et al.2025 · 5 citationsarXiv
Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks2503.23794v1 · Fabian L. Thiemann, Thiago Reschutzegger, Massimiliano Esposito et al.2025 · 3 citationsarXiv
Defects induce phase transition from dynamic to static rippling in graphene.40020187 · Thiemann, Fabian L, Scalliet, Camille, Müller, Erich A et al.2025 · 16 citationsProceedings of the National Academy of Sciences of the United States of America. 2025;122(9):e2416932122
On the increase of the melting temperature of water confined in one-dimensional nano-cavities.39655676 · Della Pia, Flaviano, Zen, Andrea, Kapil, Venkat et al.2024 · 5 citationsThe Journal of chemical physics. 2024;161(22)
Introduction to machine learning potentials for atomistic simulations.39577092 · Thiemann, Fabian L, O'Neill, Niamh, Kapil, Venkat et al.2024 · 35 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2024;37(7)
Classical Quantum Friction at Water-Carbon Interfaces.36626824 · Bui, Anna T, Thiemann, Fabian L, Michaelides, Angelos et al.2023 · 58 citationsNano letters. 2023;23(2):580-587
Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick.35726839 · Thiemann, Fabian L, Schran, Christoph, Rowe, Patrick et al.2022 · 91 citationsACS nano. 2022;16(7):10775-10782
Machine learning potentials for complex aqueous systems made simple.34518232 · Schran, Christoph, Thiemann, Fabian L, Rowe, Patrick et al.2021 · 225 citationsProceedings of the National Academy of Sciences of the United States of America. 2021;118(38)
Defect-Dependent Corrugation in Graphene.34519502 · Thiemann, Fabian L, Rowe, Patrick, Zen, Andrea et al.2021 · 57 citationsNano letters. 2021;21(19):8143-8150
Machine Learning Potential for Hexagonal Boron Nitride Applied to Thermally and Mechanically Induced Rippling2007.11448v3 · Fabian L. Thiemann, Patrick Rowe, Erich A. Muller et al.2020 · 51 citationsarXiv
Career total: at least 37 works. 17 are in this corpus.
Profile built from the corpus for this byline.
Author records are still filling in while the Hub is in alpha. If this is your page, you'll be able to claim it soon. Spot a mistake? Tell us.