CPPE: An Open-Source C++ and Python Library for Polarizable Embedding-Reference-Cited by-同舟云学术

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

Published:2019-10-03 Issue:11 Volume:15 Page:6154-6163
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Scheurer Maximilian¹²^ORCID,Reinholdt Peter²^ORCID,Kjellgren Erik Rosendahl²,Haugaard Olsen Jógvan Magnus³^ORCID,Dreuw Andreas¹^ORCID,Kongsted Jacob²^ORCID

Affiliation:

1. Interdisciplinary Center for Scientific Computing, Heidelberg University, D-69120 Heidelberg, Germany

2. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark

3. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT the Arctic University of Norway, N-9037 Tromsø, Norway

Funder

Norges Forskningsr?d

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00758

Reference55 articles.

1. Spectroscopy in Complex Environments from QM–MM Simulations

2. Multiscale modelling of photoinduced processes in composite systems

3. Quantum Mechanical Continuum Solvation Models

4. Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States

5. Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure

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