59 citations
- AGH University of KrakowPL17 papers
- Czech Academy of Sciences, Nuclear Physics InstituteCZ11 papers
- Czech Academy of SciencesCZ9 papers
- Czech Technical University in PragueCZ9 papers
- University of the WitwatersrandZA9 papers
- Ghent UniversityBE7 papers
- Max Planck Institute for MathematicsDE7 papers
- Palacký University OlomoucCZ6 papers
- Jagiellonian UniversityPL5 papers
- La Trobe UniversityAU5 papers
- Shantou UniversityCN5 papers
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ4 papers
6 papers · 1 filter
Unveiling the magnetic behavior of CN 2D material by defect creation, defect passivation, and transition metal adsorption
Taoufik Sakhraoui, František Karlický
Using the density functional tight binding method (DFTB) and the GFN1-xTB (Geometries, Frequencies, and Noncovalent interactions Tight Binding) Hamiltonian, we have investigated th…
Geometric Reasoning in the Embedding Space
Jan Hůla, David Mojžíšek, Jiří Janeček +2
In this contribution, we demonstrate that Graph Neural Networks and Transformers can learn to reason about geometric constraints. We train them to predict spatial position of point…
Continuum-wise hyperbolicity, periodic shadowing, and measures of maximal entropy
Bernardo Carvalho, Piotr Oprocha, Elias Rego
We prove that cw-hyperbolic homeomorphisms with jointly continuous stable/unstable holonomies satisfy the periodic shadowing property and, if they are topologically mixing, the per…
Predicting Fundamental Gaps of Chromium-Based 2D Materials Using GW Methods
Miroslav Kolos, František Karlický
Precise and accurate predictions of the two-dimensional (2D) material's fundamental gap are crucial for next-generation flexible electronic and photonic devices. We, therefore, eva…
On recurrence and entropy in hyperspace of continua in dimension one
Domagoj Jelić, Piotr Oprocha
We show that if is a topological graph, and is continuous map, then the induced map acting on the hyperspace of all connected subsets of by natural f…
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer
Flaviano Della Pia, Benjamin X. Shi, Yasmine S. Al-Hamdani +30
Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely-trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and mole…