Lukás Grajciar

According to our database, Lukás Grajciar authored at least 4 papers between 2015 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Reweighting free energy profiles between universal machine learning interatomic potentials for fast consensus building.

Sauradeep Majumdar, Miguel Steiner, Johannes C. B. Dietschreit, Swagata Roy, Daniel Willimetz, Lukás Grajciar, Rafael Gómez-Bombarelli

CoRR, May, 2026

2023

Differentiable Simulations for Enhanced Sampling of Rare Events.

Martin Sípka, Johannes C. B. Dietschreit, Lukás Grajciar, Rafael Gómez-Bombarelli

Proceedings of the International Conference on Machine Learning, 2023

2016

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

Roman Lazarski, Asbjörn M. Burow, Lukás Grajciar, Marek Sierka

J. Comput. Chem., 2016

2015

Low-memory iterative density fitting.

Lukás Grajciar

J. Comput. Chem., 2015