Tomáš Rauch

5PUBLICATIONS
13CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistryPhotonics, optoelectronics and optical communicationsElectronic and magnetic properties of condensed matter; superconductivityCondensed matter modelling and density functional theory
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Publications (5)

|Jul 31, 2024
Exploring flat-band properties in two-dimensional M3QX7 compounds.

Hai-Chen Wang, Tomáš Rauch, Andres Tellez-Mora

|Oct 01, 2022
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study.

Arghya Ghosh, Subrata Jana, Tomáš Rauch

|Jul 09, 2021
Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke-Johnson Exchange-Correlation Potential.

Tomáš Rauch, Miguel A L Marques, Silvana Botti

|Feb 08, 2021
First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride.

Cesar Jara, Tomáš Rauch, Silvana Botti

|Feb 26, 2020
Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials.

Tomáš Rauch, Miguel A L Marques, Silvana Botti

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Frequent Collaborators

5 joint publications

Miguel A L Marques

4 joint publications

Silvana Botti

1 joint publications

J E Castellanos-Águila

1 joint publications

Francisco Munoz