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Works (17)

A long-lived fluorenyl cation: efficiency booster for uncaging and photobase properties

Physical Chemistry Chemical Physics
2022 | Journal article
Contributors: Chahinez Abdellaoui; Volker Hermanns; Matiss Reinfelds; Maximilian Scheurer; Andreas Dreuw; Alexander Heckel; Josef Wachtveitl
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Gator: A Python‐driven program for spectroscopy simulations using correlated wave functions

WIREs Computational Molecular Science
2021-11 | Journal article
Contributors: Dirk R. Rehn; Zilvinas Rinkevicius; Michael F. Herbst; Xin Li; Maximilian Scheurer; Manuel Brand; Adrian L. Dempwolff; Iulia E. Brumboiu; Thomas Fransson; Andreas Dreuw et al.
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Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance Energy

Chemistry – A European Journal
2021-10-07 | Journal article
Contributors: Volker Hermanns; Maximilian Scheurer; Nils Frederik Kersten; Chahinez Abdellaoui; Josef Wachtveitl; Andreas Dreuw; Alexander Heckel
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Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

Journal of Chemical Theory and Computation
2021-06-08 | Journal article
Contributors: Maximilian Scheurer; Peter Reinholdt; Jógvan Magnus Haugaard Olsen; Andreas Dreuw; Jacob Kongsted
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Modeling Molecules under Pressure with Gaussian Potentials

Journal of Chemical Theory and Computation
2021-01-12 | Journal article
Contributors: Maximilian Scheurer; Andreas Dreuw; Evgeny Epifanovsky; Martin Head-Gordon; Tim Stauch
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Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme

Source: Self-asserted source
Maximilian Scheurer

The rupture mechanism of rubredoxin is more complex than previously thought

Chemical Science
2020 | Journal article
Contributors: Maximilian Scheurer; Andreas Dreuw; Martin Head-Gordon; Tim Stauch
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adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods

WIREs Computational Molecular Science
2020-11 | Journal article
Contributors: Michael F. Herbst; Maximilian Scheurer; Thomas Fransson; Dirk R. Rehn; Andreas Dreuw
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VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments

WIREs Computational Molecular Science
2020-09 | Journal article
Part of ISSN: 1759-0876
Part of ISSN: 1759-0884
Source: Self-asserted source
Maximilian Scheurer

Complex excited state polarizabilities in the ADC/ISR framework

The Journal of Chemical Physics
2020-08-21 | Journal article
Contributors: Maximilian Scheurer; Thomas Fransson; Patrick Norman; Andreas Dreuw; Dirk R. Rehn
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Recent developments in the PySCF program package

The Journal of Chemical Physics
2020-07-14 | Journal article
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Maximilian Scheurer

Psi4 1.4: Open-source software for high-throughput quantum chemistry

The Journal of Chemical Physics
2020-05-14 | Journal article
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Maximilian Scheurer

CPPE: An Open-Source C++ and Python Library for Polarizable Embedding

Journal of Chemical Theory and Computation
2019-11-12 | Journal article
Contributors: Maximilian Scheurer; Peter Reinholdt; Erik Rosendahl Kjellgren; Jógvan Magnus Haugaard Olsen; Andreas Dreuw; Jacob Kongsted
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Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems

Journal of Chemical Theory and Computation
2018-09-11 | Journal article
Contributors: Maximilian Scheurer; Michael F. Herbst; Peter Reinholdt; Jógvan Magnus Haugaard Olsen; Andreas Dreuw; Jacob Kongsted
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NAMD goes quantum: an integrative suite for hybrid simulations

Nature Methods
2018-05-26 | Journal article
Contributors: Marcelo C R Melo; Rafael C Bernardi; Till Rudack; Maximilian Scheurer; Christoph Riplinger; James C Phillips; Julio D C Maia; Gerd B Rocha; João V Ribeiro; John E Stone et al.
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PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.

Biophysical journal
2018-02 | Journal article
Contributors: Scheurer M; Rodenkirch P; Siggel M; Bernardi RC; Schulten K; Tajkhorshid E; Rudack T
Source: Self-asserted source
Maximilian Scheurer via Europe PubMed Central

Molecular Mechanism of Flavin Photoprotection by Archaeal Dodecin: Photoinduced Electron Transfer and Mg2+-Promoted Proton Transfer

The Journal of Physical Chemistry B
2017-11-22 | Journal article
Contributors: Maximilian Scheurer; Daria Brisker-Klaiman; Andreas Dreuw
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