RE
Richard Einsele
physics.chem-phphysics.comp-ph
On Valency
published · living versionsW_t5x5t6jk·v1 · currentpublished
FMO-xTB: Fragment molecular orbital method with GFN1-xTB for large-scale quantum-mechanical simulations
with Roland Mitric
1 version
Preprints & journals
9 papers in the corpus · 2021–2026Luminescence Behavior of Di(pyridine-2-yl)methyl-substituted Phosphine Oxides10.26434/chemrxiv.15005852/v1 · Jonathan Gutenthaler-Tietze, Richard Einsele, Jiyong Kim et al.2026 · 0 citationsChemRxiv
FMO-xTB: Fragment molecular orbital method with GFN1-xTB for large-scale quantum-mechanical simulations2606.28022v1 · Richard Einsele, Roland Mitric2026 · 0 citationsarXivon Valency
Substituent effects on the supramolecular arrangement in bio-inspired chlorin nanotubes.41114687 · Bühler, Michael, Einsele, Richard, Röhr, Merle I S2025 · 2 citationsPhysical chemistry chemical physics : PCCP. 2025;27(43):22990-22999
DIALECT, a Software Package for Exciton Spectra and Dynamics in Large Molecular Assemblies from Weak to Strong Light-Matter Coupling Regimes.40673727 · Einsele, Richard, Miao, Xincheng, Philipp, Luca Nils et al.2025 · 2 citationsThe journal of physical chemistry. A. 2025;129(30):6994-7007
FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime.39412055 · Einsele, Richard, Philipp, Luca Nils, Mitrić, Roland2024 · 1 citationThe Journal of chemical physics. 2024;161(15)
Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB.39051619 · Einsele, Richard, Mitrić, Roland2024 · 8 citationsJournal of chemical theory and computation. 2024;20(15):6587-6603
Nonadiabatic excited-state dynamics and energy gradients in the framework of FMO-LC-TDDFTB2404.14174v1 · Richard Einsele, Roland Mitri'c2024 · 0 citationsarXiv
Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems.36725509 · Einsele, Richard, Hoche, Joscha, Mitrić, Roland2023 · 12 citationsThe Journal of chemical physics. 2023;158(4):044121
On the quantum and classical control of laser-driven isomerization in the Wigner representation.34241051 · Petersen, Jens, Einsele, Richard, Mitrić, Roland2021 · 2 citationsThe Journal of chemical physics. 2021;154(17):174103
Career total: 14 works. 9 are in this corpus.
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