Maximilian Scheurer

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 18

Top Topics

Density Functional Theory

Electron Transfer

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

Maximilian Scheurer, Gian-Luca R Anselmetti, Oumarou Oumarou, Christian Gogolin, Nicholas C Rubin
Tailored and Externally Corrected Coupled Cluster with Quantum Inputs. Journal of chemical theory and computation 20 (12) (2024)
Maximilian Scheurer, Gian-Luca R Anselmetti, Oumarou Oumarou, Christian Gogolin, Nicholas C Rubin
Tailored and Externally Corrected Coupled Cluster with Quantum Inputs. Journal of chemical theory and computation (2024)
Antonia Papapostolou, Maximilian Scheurer, Andreas Dreuw, Dirk R Rehn
responsefun: Fun with Response Functions in the Algebraic Diagrammatic Construction Framework. Journal of chemical theory and computation (2023)
Edward G Hohenstein, Oumarou Oumarou, Rachael Al-Saadon, Gian-Luca R Anselmetti, Maximilian Scheurer, Christian Gogolin, Robert M Parrish
Efficient quantum analytic nuclear gradients with double factorization. The Journal of chemical physics 158 (11) (2023)
Maximilian Scheurer, Antonia Papapostolou, Thomas Fransson, Patrick Norman, Andreas Dreuw, Dirk R Rehn
Solving response expressions in the ADC/ISR framework. The Journal of chemical physics 158 (8) (2023)
Daniil A Fedotov, Mikael Scott, Maximilian Scheurer, Dirk R Rehn, Andreas Dreuw, Sonia Coriani
Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order. The Journal of chemical physics 157 (17) (2022)
Chahinez Abdellaoui, Volker Hermanns, Matiss Reinfelds, Maximilian Scheurer, Andreas Dreuw, Alexander Heckel, Josef Wachtveitl
A long-lived fluorenyl cation: efficiency booster for uncaging and photobase properties. Physical chemistry chemical physics : PCCP 24 (9) (2022)
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Taylor A Barnes, Carlos H Borca, Roberto Di Remigio, David L Dotson, Sebastian Ehlert, Alexander G Heide, Michael F Herbst, Jan Hermann, Colton B Hicks, Joshua T Horton, Adrian G Hurtado, Peter Kraus, Holger Kruse, Sebastian J R Lee, Jonathon P Misiewicz, Levi N Naden, Farhad Ramezanghorbani, Maximilian Scheurer, Jeffrey B Schriber, Andrew C Simmonett, Johannes Steinmetzer, Jeffrey R Wagner, Logan Ward, Matthew Welborn, Doaa Altarawy, Jamshed Anwar, John D Chodera, Andreas Dreuw, Heather J Kulik, Fang Liu, Todd J Martinez, Devin A Matthews, Henry F Schaefer, Jiřı Šponer, Justin M Turney, Lee-Ping Wang, Nuwan De Silva, Rollin A King, John F Stanton, Mark S Gordon, Theresa L Windus, C David Sherrill, Lori A Burns
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of chemical physics 155 (20) (2021)
Maximilian Scheurer, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees. Journal of chemical theory and computation 17 (6) (2021)
Volker Hermanns, Maximilian Scheurer, Nils Frederik Kersten, Chahinez Abdellaoui, Josef Wachtveitl, Andreas Dreuw, Alexander Heckel
Rethinking Uncaging: A New Antiaromatic Photocage Driven by a Gain of Resonance Energy. Chemistry (Weinheim an der Bergstrasse, Germany) 27 (56) (2021)
Maximilian Scheurer, Andreas Dreuw, Evgeny Epifanovsky, Martin Head-Gordon, Tim Stauch
Modeling Molecules under Pressure with Gaussian Potentials. Journal of chemical theory and computation 17 (1) (2020)
Maximilian Scheurer, Andreas Dreuw, Martin Head-Gordon, Tim Stauch
The rupture mechanism of rubredoxin is more complex than previously thought. Chemical science 11 (23) (2020)
Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S Blunt, Nikolay A Bogdanov, George H Booth, Jia Chen, Zhi-Hao Cui, Janus J Eriksen, Yang Gao, Sheng Guo, Jan Hermann, Matthew R Hermes, Kevin J Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi Liu, Narbe Mardirossian, James D McClain, Mario Motta, Bastien Mussard, Hung Q Pham, Artem Pulkin, Wirawan Purwanto, Paul J Robinson, Enrico Ronca, Elvira R Sayfutyarova, Maximilian Scheurer, Henry F Schurkus, James E T Smith, Chong Sun, Shi-Ning Sun, Shiv Upadhyay, Lucas K Wagner, Xiao Wang, Alec F White, James Daniel Whitfield, Mark J Williamson, Sebastian Wouters, Jun Yang, Jason M Yu, Tianyu Zhu, Timothy C Berkelbach, Sandeep Sharma, Alexander Yu Sokolov, Garnet Kin-Lic Chan
Recent developments in the PySCF program package. The Journal of chemical physics 153 (2) (2020)
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M James, Susi Lehtola, Jonathon P Misiewicz, Maximilian Scheurer, Robert A Shaw, Jeffrey B Schriber, Yi Xie, Zachary L Glick, Dominic A Sirianni, Joseph Senan O'Brien, Jonathan M Waldrop, Ashutosh Kumar, Edward G Hohenstein, Benjamin P Pritchard, Bernard R Brooks, Henry F Schaefer, Alexander Yu Sokolov, Konrad Patkowski, A Eugene DePrince Iii, Uğur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of chemical physics 152 (18) (2020)
Maximilian Scheurer, Peter Reinholdt, Erik Rosendahl Kjellgren, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
CPPE: An Open-Source C++ and Python Library for Polarizable Embedding. Journal of chemical theory and computation 15 (11) (2019)
Maximilian Scheurer, Michael F Herbst, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Andreas Dreuw, Jacob Kongsted
Polarizable Embedding Combined with the Algebraic Diagrammatic Construction: Tackling Excited States in Biomolecular Systems. Journal of chemical theory and computation 14 (9) (2018)
Marcelo Cardoso Dos Reis Melo, Rafael C Bernardi, Till Rudack, Maximilian Scheurer, Christoph Riplinger, James C Phillips, Julio D C Maia, Gerd Bruno Rocha, João V Ribeiro, John E Stone, Frank Neese, Klaus Schulten, Zaida Luthey-Schulten
NAMD goes quantum: an integrative suite for hybrid simulations. Nature methods 15 (5) (2018)
Maximilian Scheurer, Daria Brisker-Klaiman, Andreas Dreuw
Molecular Mechanism of Flavin Photoprotection by Archaeal Dodecin: Photoinduced Electron Transfer and Mg2+-Promoted Proton Transfer. The journal of physical chemistry. B 121 (46) (2017)