@article{UBHD-68904232,
  author={Abdellaoui, Chahinez and Hermanns, Volker and Reinfelds, Matīss and Scheurer, Maximilian and Dreuw, Andreas and Heckel, Alexander and Wachtveitl, Josef},
  title={A long-lived fluorenyl cation},
  subtitle={efficiency booster for uncaging and photobase properties},
  year={2022},
  pages={5294-5300},
  language={eng},
  issn={1463-9084},
  volume={24},
  number={9},
  note={Gesehen am 06.04.2022},
  journal={Physical chemistry, chemical physics},
  doi={10.1039/D1CP05292F},
}
@article{UBHD-68803376,
  author={Epifanovsky, Evgeny and Dempwolff, Adrian and Plasser, Felix and Rehn, Dirk R. and Herbst, Michael F. and Krauter, Caroline M. and Lefrancois, Daniel and Mewes, Jan-Michael and Mewes, Stefanie and Scheurer, Maximilian and Wenzel, Jan and Dreuw, Andreas},
  title={Software for the frontiers of quantum chemistry},
  subtitle={an overview of developments in the Q-Chem 5 package},
  year={2021},
  pages={1-60},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 19.11.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0055522},
}
@article{UBHD-69006679,
  author={Fedotov, Daniil A. and Scott, Mikael and Scheurer, Maximilian and Rehn, Dirk R. and Dreuw, Andreas and Coriani, Sonia},
  title={Magnetic circular dichroism within the algebraic diagrammatic construction scheme of the polarization propagator up to third order},
  year={2022},
  pages={1-14},
  language={eng},
  issn={1089-7690},
  volume={157},
  note={Gesehen am 16.01.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0123030},
}
@article{UBHD-68558889,
  author={Melo, Marcelo C. R. and Bernardi, Rafael C. and Rudack, Till and Scheurer, Maximilian and Riplinger, Christoph and Phillips, James C. and Maia, Julio D. C. and Rocha, Gerd B. and Ribeiro, João V. and Stone, John E. and Neese, Frank and Schulten, Klaus and Luthey-Schulten, Zaida},
  title={NAMD goes quantum},
  subtitle={an integrative suite for hybrid simulations},
  year={2018},
  pages={351-354},
  language={eng},
  issn={1548-7105},
  volume={15},
  number={5},
  note={Gesehen am 26.03.2020},
  journal={Nature methods},
  doi={10.1038/nmeth.4638},
}
@article{UBHD-69131716,
  author={Papapostolou, Antonia and Scheurer, Maximilian and Dreuw, Andreas and Rehn, Dirk R.},
  title={Responsefun},
  subtitle={fun with response functions in the algebraic diagrammatic construction framework},
  year={2023},
  pages={6375-6391},
  language={eng},
  issn={1549-9626},
  volume={19},
  number={18},
  note={Gesehen am 19.10.2023},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.3c00456},
}
@article{UBHD-69066003,
  author={Rehn, Dirk R. and Rinkevicius, Zilvinas and Herbst, Michael F. and Li, Xin and Scheurer, Maximilian and Brand, Manuel and Dempwolff, Adrian and Brumboiu, Iulia E. and Fransson, Thomas and Dreuw, Andreas and Norman, Patrick},
  title={Gator},
  subtitle={a Python-driven program for spectroscopy simulations using correlated wave functions},
  year={2021},
  pages={1-12},
  language={eng},
  issn={1759-0884},
  volume={11},
  note={Gesehen am 17.04.2023},
  journal={Wiley interdisciplinary reviews},
  doi={10.1002/wcms.1528},
  url={https://doi.org/10.1002/wcms.1528},
  library={UB},
}
@article{UBHD-69156095,
  author={Remme, Roman and Kaczun, Tobias and Scheurer, Maximilian and Dreuw, Andreas and Hamprecht, Fred},
  title={KineticNet},
  subtitle={deep learning a transferable kinetic energy functional for orbital-free density functional theory},
  year={2023},
  pages={14 S.},
  language={eng},
  issn={1089-7690},
  volume={159},
  note={Gesehen am 22.12.2023},
  journal={The journal of chemical physics},
  doi={10.1063/5.0158275},
}
@article{UBHD-68646197,
  author={Scheurer, Maximilian and Fransson, Thomas and Norman, Patrick and Dreuw, Andreas and Rehn, Dirk R.},
  title={Complex excited state polarizabilities in the ADC/ISR framework},
  year={2020},
  pages={12 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 08.10.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0012120},
}
@article{UBHD-68481953,
  author={Scheurer, Maximilian and Dreuw, Andreas},
  title={CPPE},
  subtitle={an open-source C++ and Python library for Polarizable Embedding},
  year={2019},
  pages={6154-6163},
  language={eng},
  issn={1549-9626},
  volume={15},
  number={11},
  note={Gesehen am 29.01.2020},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.9b00758},
}
@article{UBHD-68763909,
  author={Scheurer, Maximilian and Reinholdt, Peter and Olsen, Jógvan Magnus Haugaard and Dreuw, Andreas and Kongsted, Jacob},
  title={Efficient open-source implementations of linear-scaling polarizable embedding},
  subtitle={use octrees to save the trees},
  year={2021},
  pages={3445-3454},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={6},
  note={Published online 5 May 2021 ; Published in issue 8 June 2021 ; Gesehen am 27.07.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.1c00225},
}
@article{UBHD-68711911,
  author={Scheurer, Maximilian and Dreuw, Andreas and Epifanovsky, Evgeny and Head-Gordon, Martin and Neudecker, Tim},
  title={Modeling molecules under pressure with gaussian potentials},
  year={2021},
  pages={583-597},
  language={eng},
  issn={1549-9626},
  volume={17},
  number={1},
  note={Publication date: December 22, 2020 ; Gesehen am 26.11.2021},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.0c01212},
}
@article{UBHD-68248867,
  author={Scheurer, Maximilian and Brisker-Klaiman, Daria and Dreuw, Andreas},
  title={Molecular mechanism of flavin photoprotection by archaeal dodecin},
  subtitle={photoinduced electron transfer and Mg2+-promoted proton transfer},
  year={2017},
  pages={10457-10466},
  language={eng},
  issn={1520-5207},
  volume={121},
  number={46},
  note={Gesehen am 03.05.2018 ; Im Titel ist "2+" hochgestellt},
  journal={The journal of physical chemistry},
  doi={10.1021/acs.jpcb.7b08597},
}
@article{UBHD-68402225,
  author={Scheurer, Maximilian and Herbst, Michael F. and Dreuw, Andreas},
  title={Polarizable embedding combined with the algebraic diagrammatic construction},
  subtitle={tackling excited states in biomolecular systems},
  year={2018},
  pages={4870-7883},
  language={eng},
  issn={1549-9626},
  volume={14},
  number={9},
  note={Published: August 7, 2018 ; Gesehen am 27.06.2019},
  journal={Journal of chemical theory and computation},
  doi={10.1021/acs.jctc.8b00576},
}
@article{UBHD-68403649,
  author={Scheurer, Maximilian and Rodenkirch, Peter and Siggel, Marc},
  title={PyContact},
  subtitle={rapid, customizable, and visual analysis of noncovalent interactions in MD simulations},
  year={2018},
  pages={577-583},
  language={eng},
  issn={1542-0086},
  volume={114},
  number={3},
  note={Gesehen am 02.07.2019},
  journal={Biophysical journal},
  doi={10.1016/j.bpj.2017.12.003},
}
@book{UBHD-68826902,
  author={Scheurer, Maximilian},
  title={Quantum chemical methods for molecular properties in complex environments},
  address={Heidelberg},
  year={2021},
  pages={1 Online-Ressource (XII, 237 Seiten)},
  language={eng},
  school={Dissertation,  Ruprecht-Karls-Universit{\"a}t Heidelberg,  2021},
  doi={10.11588/heidok.00030688},
  url={https://nbn-resolving.org/urn:nbn:de:bsz:16-heidok-306881},
  library={UB},
}
@book{UBHD-68871875,
  author={Scheurer, Maximilian},
  organization={Universit{\"a}t Heidelberg},
  title={Quantum chemical methods for molecular properties in complex environments},
  address={Heidelberg},
  year={2021},
  pages={XII, 237 Seiten},
  language={eng},
  school={Dissertation,  Ruprecht-Karls-Universit{\"a}t Heidelberg,  2021},
  library={UB [Signatur: 2022 U 73]},
}
@article{UBHD-68626395,
  author={Scheurer, Maximilian and Dreuw, Andreas and Head-Gordon, Martin and Neudecker, Tim},
  title={The rupture mechanism of rubredoxin is more complex than previously thought},
  year={2020},
  pages={6036-6044},
  language={eng},
  issn={2041-6539},
  volume={11},
  number={23},
  note={Gesehen am 11.08.2020},
  journal={Chemical science},
  doi={10.1039/D0SC02164D},
}
@article{UBHD-68735147,
  author={Smith, Daniel G. A. and Burns, Lori A. and Simmonett, Andrew C. and Parrish, Robert M. and Schieber, Matthew C. and Galvelis, Raimondas and Kraus, Peter and Kruse, Holger and Di Remigio, Roberto and Alenaizan, Asem and James, Andrew M. and Lehtola, Susi and Misiewicz, Jonathon P. and Scheurer, Maximilian and Shaw, Robert A. and Schriber, Jeffrey B. and Xie, Yi and Glick, Zachary L. and Sirianni, Dominic A. and O'Brien, Joseph Senan and Waldrop, Jonathan M. and Kumar, Ashutosh and Hohenstein, Edward G. and Pritchard, Benjamin P. and Brooks, Bernard R. and Schaefer, Henry F. and Sokolov, Alexander Yu and Patkowski, Konrad and DePrince, A. Eugene and Bozkaya, Ugur and King, Rollin A. and Evangelista, Francesco A. and Turney, Justin M. and Crawford, T. Daniel and Sherrill, C. David},
  title={Psi4 1.4},
  subtitle={open-source software for high-throughput quantum chemistry},
  year={2020},
  pages={1-21},
  language={eng},
  issn={1089-7690},
  volume={152},
  note={Gesehen am 07.05.2021},
  journal={The journal of chemical physics},
  doi={10.1063/5.0006002},
}
@article{UBHD-68869618,
  author={Smith, Daniel G. A. and Lolinco, Annabelle T. and Glick, Zachary L. and Lee, Jiyoung and Alenaizan, Asem and Barnes, Taylor A. and Borca, Carlos H. and Di Remigio, Roberto and Dotson, David L. and Ehlert, Sebastian and Heide, Alexander G. and Herbst, Michael F. and Hermann, Jan and Hicks, Colton B. and Horton, Joshua T. and Hurtado, Adrian G. and Kraus, Peter and Kruse, Holger and Lee, Sebastian J. R. and Misiewicz, Jonathon P. and Naden, Levi N. and Ramezanghorbani, Farhad and Scheurer, Maximilian and Schriber, Jeffrey B. and Simmonett, Andrew C. and Steinmetzer, Johannes and Wagner, Jeffrey R. and Ward, Logan and Welborn, Matthew and Altarawy, Doaa and Anwar, Jamshed and Chodera, John D. and Dreuw, Andreas and Kulik, Heather J. and Liu, Fang and Martínez, Todd J. and Matthews, Devin A. and Schaefer, Henry F. and Šponer, Jiří and Turney, Justin M. and Wang, Lee-Ping and De Silva, Nuwan and King, Rollin A. and Stanton, John F. and Gordon, Mark S. and Windus, Theresa L. and Sherrill, C. David and Burns, Lori A.},
  title={Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine)},
  subtitle={Automation and interoperability among computational chemistry programs},
  year={2021},
  pages={1-23},
  language={eng},
  issn={1089-7690},
  volume={155},
  note={Gesehen am 21.01.2022},
  journal={The journal of chemical physics},
  doi={10.1063/5.0059356},
}
@article{UBHD-68659340,
  author={Sun, Qiming and Zhang, Xing and Banerjee, Samragni and Bao, Peng and Barbry, Marc and Blunt, Nick S. and Bogdanov, Nikolay A. and Booth, George H. and Chen, Jia and Cui, Zhi-Hao and Eriksen, Janus J. and Gao, Yang and Guo, Sheng and Hermann, Jan and Hermes, Matthew R. and Koh, Kevin and Koval, Peter and Lehtola, Susi and Li, Zhendong and Liu, Junzi and Mardirossian, Narbe and McClain, James D. and Motta, Mario and Mussard, Bastien and Pham, Hung Q. and Pulkin, Artem and Purwanto, Wirawan and Robinson, Paul J. and Ronca, Enrico and Sayfutyarova, Elvira R. and Scheurer, Maximilian and Schurkus, Henry F. and Smith, James E. T. and Sun, Chong and Sun, Shi-Ning and Upadhyay, Shiv and Wagner, Lucas K. and Wang, Xiao and White, Alec and Whitfield, James Daniel and Williamson, Mark J. and Wouters, Sebastian and Yang, Jun and Yu, Jason M. and Zhu, Tianyu and Berkelbach, Timothy C. and Sharma, Sandeep and Sokolov, Alexander Yu. and Chan, Garnet Kin-Lic},
  title={Recent developments in the PySCF program package},
  year={2020},
  pages={21 S.},
  language={eng},
  issn={1089-7690},
  volume={153(2020},
  note={Gesehen am 10.11.2020},
  journal={The journal of chemical physics},
  doi={10.1063/5.0006074},
}