Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Maximilian Scheurer

Showing results (11-20 of 22) with videos related to

Pageof 3
Sort By:
Journal of Chemical Theory and Computation|October 4, 2019
CPPE: An Open-Source C++ and Python Library for Polarizable EmbeddingMaximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, et al.
Journal of Chemical Theory and Computation|April 28, 2025
Molecular Properties from Quantum Krylov Subspace DiagonalizationOumarou Oumarou, Pauline J Ollitrault, Cristian L Cortes, et al.
Journal of Chemical Theory and Computation|August 8, 2018
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular SystemsMaximilian Scheurer, Michael F Herbst, Peter Reinholdt, et al.
Biophysical Journal|February 8, 2018
PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD SimulationsMaximilian Scheurer, Peter Rodenkirch, Marc Siggel, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 7, 2021
Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance EnergyVolker Hermanns, Maximilian Scheurer, Nils Frederik Kersten, et al.
The Journal of Chemical Physics|March 22, 2023
Efficient quantum analytic nuclear gradients with double factorizationEdward G Hohenstein, Oumarou Oumarou, Rachael Al-Saadon, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 21, 2020
Selective Modification for Red-Shifted Excitability: A Small Change in Structure, a Huge Change in PhotochemistryYvonne Becker, Sina Roth, Maximilian Scheurer, et al.
Nature Methods|March 27, 2018
NAMD goes quantum: an integrative suite for hybrid simulationsMarcelo C R Melo, Rafael C Bernardi, Till Rudack, et al.
The Journal of Chemical Physics|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistryDaniel G A Smith, Lori A Burns, Andrew C Simmonett, et al.
The Journal of Chemical Physics|July 17, 2020
Recent developments in the PySCF program packageQiming Sun, Xing Zhang, Samragni Banerjee, et al.
Pageof 3

Showing results (11-20 of 22) with videos related to

Sort By:
Pageof 3
Journal of Chemical Theory and Computation|October 4, 2019
CPPE: An Open-Source C++ and Python Library for Polarizable EmbeddingMaximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, et al.
Journal of Chemical Theory and Computation|April 28, 2025
Molecular Properties from Quantum Krylov Subspace DiagonalizationOumarou Oumarou, Pauline J Ollitrault, Cristian L Cortes, et al.
Journal of Chemical Theory and Computation|August 8, 2018
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular SystemsMaximilian Scheurer, Michael F Herbst, Peter Reinholdt, et al.
Biophysical Journal|February 8, 2018
PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD SimulationsMaximilian Scheurer, Peter Rodenkirch, Marc Siggel, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 7, 2021
Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance EnergyVolker Hermanns, Maximilian Scheurer, Nils Frederik Kersten, et al.
The Journal of Chemical Physics|March 22, 2023
Efficient quantum analytic nuclear gradients with double factorizationEdward G Hohenstein, Oumarou Oumarou, Rachael Al-Saadon, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|September 21, 2020
Selective Modification for Red-Shifted Excitability: A Small Change in Structure, a Huge Change in PhotochemistryYvonne Becker, Sina Roth, Maximilian Scheurer, et al.
Nature Methods|March 27, 2018
NAMD goes quantum: an integrative suite for hybrid simulationsMarcelo C R Melo, Rafael C Bernardi, Till Rudack, et al.
The Journal of Chemical Physics|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistryDaniel G A Smith, Lori A Burns, Andrew C Simmonett, et al.
The Journal of Chemical Physics|July 17, 2020
Recent developments in the PySCF program packageQiming Sun, Xing Zhang, Samragni Banerjee, et al.
Pageof 3