Matthias Rupp @_MatthiasRupp

Machine Learning for Physics, Chemistry, and Materials mrupp.info Joined May 2020

Tweets

62
Followers

1K
Following

402
Likes

232

Matthias Rupp @_MatthiasRupp

12 months ago

New work by T. Bischoff, B. Jäckl, and me: Benchmarking machine-learning potentials for molecular dynamics requires running accelerated simulations. We provide a fully automated benchmark for this. Preprint: doi.org/10.48550/arXiv… Repository: gitlab.com/qmml/h-benchma…

0 7 38 2K 19

Matthias Rupp @_MatthiasRupp

2 years ago

Ph.D. position in molecular dynamics simulations for ion-beam-based nanoanalytics at LIST Secondary ion mass spectrometry (SIMS), molecular dynamics simulations, machine-learning interatomic potentials, programming. Position M-2422 at list.lu/en/jobs/phd-ca…

0 1 3 675 1

Matthias Rupp @_MatthiasRupp

2 years ago

Work by Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, and me: Accurate thermal transport via Green-Kubo and message-passing neural networks, demonstrated for zirconia. doi.org/10.1103/physre… Data and code available.

0 2 17 1K 0

Matthias Rupp @_MatthiasRupp

2 years ago

Work by Stephen R. Xie, Richard Hennig, and me: Ultra-fast potentials use explicit, effective many-body terms learned from data. They are data-efficient, often accurate enough, interpretable, and ...very fast. doi.org/10.1038/s41524… Code at github.com/uf3

0 3 14 1K 4

marcel ⊙ @marceldotsci

2 years ago

🚀 New work: "Stress and heat flux via automatic differentiation" w/ @FrankThorben and @flokno_phys. We give an overview of using AD for stress and heat flux, and provide an implementation in JAX. See arxiv.org/abs/2305.01401; code at github.com/sirmarcel/glp. 🧵⤵️

1 3 28 9K 1

Matthias Rupp @_MatthiasRupp

3 years ago

I asked ChatGPT for a reference for a claim, and it provided one: It was nicely formatted, but the author list and title were from one publication, whereas year, journal, and DOI were from another, neither related to the claim :-)

2 0 4 783 0

Matthias Rupp @_MatthiasRupp

3 years ago

Post-doctoral researcher position on Machine Learning of Plasma-Assisted Deposition Processes available in my group. psi-k.net/jobs/postdoc-i…

0 5 8 1K 2

Matthias Rupp @_MatthiasRupp

3 years ago

ELLIS Ph.D. Program: Call for applications 2022 is open ellis.eu/news/ellis-phd… Deadline November 15

0 0 3 0 0

Matthias Rupp @_MatthiasRupp

4 years ago

Publishing scientific code for atomistic systems: The Journal of Chemical Physics has a dedicated section for "Chemical Physics Software" since last year. doi.org/10.1063/5.0059…

1 11 67 0 11

Matthias Rupp @_MatthiasRupp

4 years ago

New work by S. Xie, R. Hennig and me: We combine effective low-order many-body expansions with splines and curvature regularization for machine-learning potentials that are robust, interpretable, accurate, and as fast as classical empirical potentials. arxiv.org/abs/2110.00624

3 5 48 0 9

Matthias Rupp @_MatthiasRupp

4 years ago

ELLIS Ph.D. Program: Call for applications ellis.eu/news/ellis-phd… Apply until 15 November 2021. ELLIS is the European Laboratory for Learning and Intelligent Systems (ellis.eu), a European Machine-Learning Initiative.