🏆 Finalist — NIH Data Sharing Index (“S-Index”) Challenge

Marcus Elstner

Karlsruhe Institute of Technology

ORCID: 0000-0002-3255-306X

Also affiliated with Institute of Nanotechnology

Physics and AstronomyNeuroscienceMaterials Science

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile
0Author DataRank

Indexed papers

0in pilot corpus
datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 4 papers. Top paper: “Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds”.

Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds

Physical Chemistry Chemical Physics(2020)10.1039/d0cp04694a
N/A
0DataRank · unranked
6 citations

Rui Lai, Marcus Elstner, Maja Gruden, Pablo García‐Fernández, Qiang Cui +1 more

O to bR transition in bacteriorhodopsin occurs through a proton hole mechanism

Proceedings of the National Academy of Sciences(2021)10.1073/pnas.2024803118
N/A
0DataRank · unranked
17 citations

Thilo Mast, Marcus Elstner, Qiang Cui, Tomáš Kubař, Denis Maag

Hybrid Quantum Mechanical/Molecular Mechanical Methods For Studying Energy Transduction in Biomolecular Machines

Annual Review of Biophysics(2023)10.1146/annurev-biophys-111622-091140
N/A
0DataRank · unranked
45 citations

Marcus Elstner, Qiang Cui, Tomáš Kubař

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations

The Journal of Physical Chemistry A(2025)10.1021/acs.jpca.5c01146
N/A
0DataRank · unranked
19 citations

Matías Berdakin, J. A. Bich, Franco P. Bonafé, Cristopher Camacho, Qiang Cui +27 more