Search Results for author: Henrik Christiansen

Found 5 papers, 1 papers with code

Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing

no code implementations23 May 2024 Viktor Zaverkin, Francesco Alesiani, Takashi Maruyama, Federico Errica, Henrik Christiansen, Makoto Takamoto, Nicolas Weber, Mathias Niepert

This work introduces higher-rank irreducible Cartesian tensors as an alternative to spherical tensors, addressing the above limitations.

Observations on Large-Scale Attenuation Effects in a 26 GHz Urban Micro-Cell Environment

no code implementations8 Apr 2024 Alejandro Ramírez-Arroyo, Troels B. Sørensen, Peter Beltoft, Henrik Christiansen, Juan F. Valenzuela-Valdés, Preben Mogensen

This letter presents a measurement campaign carried out in an FR2 urban outdoor environment in a live experimental network deployment.

Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials

no code implementations3 Dec 2023 Viktor Zaverkin, David Holzmüller, Henrik Christiansen, Federico Errica, Francesco Alesiani, Makoto Takamoto, Mathias Niepert, Johannes Kästner

Existing biased and unbiased MD simulations, however, are prone to miss either rare events or extrapolative regions -- areas of the configurational space where unreliable predictions are made.

Active Learning

Self-Tuning Hamiltonian Monte Carlo for Accelerated Sampling

no code implementations24 Sep 2023 Henrik Christiansen, Federico Errica, Francesco Alesiani

In the case of alanine dipeptide, by tuning the only free parameter of our loss definition, we find a good correspondence between it and the autocorrelation times, resulting in a $>100$ fold speed up in optimization of simulation parameters compared to a grid-search.

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