GPAW: An open Python package for electronic structure calculations

被引：0

作者：

Mortensen, Jens Jørgen ^{[1
]}

Larsen, Ask Hjorth ^{[1
]}

Kuisma, Mikael ^{[1
]}

Ivanov, Aleksei V. ^{[2
]}

Taghizadeh, Alireza ^{[1
]}

Peterson, Andrew ^{[3
]}

Haldar, Anubhab ^{[4
]}

Dohn, Asmus Ougaard ^{[5
]}

Schäfer, Christian ^{[6
]}

Jónsson, Elvar Örn ^{[7
]}

Hermes, Eric D. ^{[8
]}

Nilsson, Fredrik Andreas ^{[1
]}

Kastlunger, Georg ^{[9
]}

Levi, Gianluca ^{[7
]}

Jónsson, Hannes ^{[7
]}

Häkkinen, Hannu ^{[10
]}

Fojt, Jakub ^{[6
]}

Kangsabanik, Jiban ^{[1
]}

Sødequist, Joachim ^{[1
]}

Lehtomäki, Jouko ^{[11
]}

Heske, Julian ^{[1
]}

Enkovaara, Jussi ^{[12
]}

Winther, Kirsten Trøstrup ^{[13
]}

Dulak, Marcin ^{[1
]}

Melander, Marko M. ^{[14
]}

Ovesen, Martin ^{[1
]}

Louhivuori, Martti ^{[12
]}

Walter, Michael ^{[15
]}

Gjerding, Morten ^{[1
]}

Lopez-Acevedo, Olga ^{[16
]}

Erhart, Paul ^{[6
]}

Warmbier, Robert ^{[17
]}

Würdemann, Rolf ^{[18
]}

Kaappa, Sami ^{[19
]}

Latini, Simone ^{[20
]}

Boland, Tara Maria ^{[1
]}

Bligaard, Thomas ^{[21
]}

Skovhus, Thorbjørn ^{[1
]}

Susi, Toma ^{[22
]}

Maxson, Tristan ^{[23
]}

Rossi, Tuomas ^{[12
]}

Chen, Xi ^{[24
]}

Schmerwitz, Yorick Leonard A. ^{[7
]}

Schiøtz, Jakob ^{[1
]}

Olsen, Thomas ^{[1
]}

Jacobsen, Karsten Wedel ^{[1
]}

Thygesen, Kristian Sommer ^{[1
]}

机构：

[1] CAMD, Department of Physics, Technical University of Denmark, Lyngby,2800 Kgs, Denmark

[2] Riverlane Ltd., St Andrews House, 59 St Andrews Street, Cambridge,CB2 3BZ, United Kingdom

[3] School of Engineering, Brown University, Providence,RI,02912, United States

[4] Department of Electrical and Computer Engineering, Boston University, Boston,MA,02215, United States

[5] Department of Physics, Technical University of Denmark, Denmark and Science Institute, Faculty of Physical Sciences, VR-III, University of Iceland, 2800 Lyngby, Reykjavík,107, Iceland

[6] Department of Physics, Chalmers University of Technology, Gothenburg,SE-412 96, Sweden

[7] Science Institute, Faculty of Physical Sciences, University of Iceland, VR-III, Reykjavík,107, Iceland

[8] Quantum-Si, 29 Business Park Drive, Branford,CT,06405, United States

[9] CatTheory, Department of Physics, Technical University of Denmark, Lyngby,2800 Kgs, Denmark

[10] Departments of Physics and Chemistry, Nanoscience Center, University of Jyväskylä, Jyväskylä,FI-40014, Finland

[11] Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto,00076, Finland

[12] CSC-IT Center for Science Ltd., P.O. Box 405, Espoo,FI-02101, Finland

[13] SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park,CA,94025, United States

[14] Department of Chemistry, Nanoscience Center, University of Jyväskylä, Jyväskylä,FI-40014, Finland

[15] FIT Freiburg Centre for Interactive Materials and Bioinspired Technologies, University of Freiburg, Georges-Köhler-Allee 105, Freiburg,79110, Germany

[16] Biophysics of Tropical Diseases, Max Planck Tandem Group, University of Antioquia UdeA, Medellin,050010, Colombia

[17] School of Physics and Mandelstam Institute for Theoretical Physics, University of the Witwatersrand, 1 Jan Smuts Avenue, Johannesburg,2001, South Africa

[18] Freiburger Materialforschungszentrum, Universität Freiburg, Stefan-Meier-Straße 21, Freiburg,D-79104, Germany

[19] Computational Physics Laboratory, Tampere University, P.O. Box 692, Tampere,FI-33014, Finland

[20] Department of Physics, Technical University of Denmark, Lyngby,2800 Kgs, Denmark

[21] Department of Energy Conversion and Storage, Technical University of Denmark, Lyngby,DK-2800, Denmark

[22] Faculty of Physics, University of Vienna, Boltzmanngasse 5, Vienna,1090, Austria

[23] Department of Chemical and Biological Engineering, The University of Alabama, Tuscaloosa,AL,35487, United States

[24] School of Physical Science and Technology, Lanzhou University, Gansu, Lanzhou,730000, China

来源：

Journal of Chemical Physics | 2024年 / 160卷 / 09期

基金：

欧洲研究理事会;

关键词：

346;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 50 条

[31] torchosr - A PyTorch extension package for Open Set Recognition models evaluation in Python']Python
Komorniczak, Joanna
Ksieniewicz, Pawel
NEUROCOMPUTING, 2024, 566
[32] pyResearchInsights-An open-source Python']Python package for scientific text analysis
Shetty, Sarthak J.
Ramesh, Vijay
ECOLOGY AND EVOLUTION, 2021, 11 (20): : 13920 - 13929
[33] Gnssrefl: an open source software package in python']python for GNSS interferometric reflectometry applications
Larson, Kristine M.
GPS SOLUTIONS, 2024, 28 (04)
[34] Inverse Source Estimation Tools in SDynPy, an Open-Source Python']Python Package
Carter, Steven
Rohe, Daniel
DYNAMIC SUBSTRUCTURES, VOL. 4, IMAC 2024, 2025, : 111 - 123
[35] LDAQ: An Open-Source Python']Python Package for Data Acquisition and Signal Generation
Kosir, Tilen
Zaletelj, Klemen
Slavic, Janko
SPECIAL TOPICS IN STRUCTURAL DYNAMICS & EXPERIMENTAL TECHNIQUES, VOL 5, 2024, : 109 - 111
[36] PyLips: an Open-Source Python']Python Package to Expand Participation in Embodied Interaction
Dennler, Nathaniel S.
Torrence, Evan
Yoo, Uksang
Nikolaidis, Stefanos
Mataric, Maja
PROCEEDINGS OF THE 37TH ANNUAL ACM SYMPOSIUM ON USER INTERFACE SOFTWARE AND TECHNOLOGY, UIST ADJUNCT 2024, 2024,
[37] pyActigraphy: Open-source python']python package for actigraphy data visualization and analysis
Hammad, Gregory
Reyt, Mathilde
Beliy, Nikita
Baillet, Marion
Deantoni, Michele
Lesoinne, Alexia
Muto, Vincenzo
Schmidt, Christina
PLOS COMPUTATIONAL BIOLOGY, 2021, 17 (10)
[38] GMAG: An open-source python']python package for ground-based magnetometers
Murphy, Kyle R.
Rae, I. Jonathan
Halford, Alexa J.
Engebretson, Mark
Russell, Christopher T.
Matzka, Jurgen
Johnsen, Magnar G.
Milling, David K.
Mann, Ian R.
Kale, Andy
Xu, Zhonghua
Connors, Martin
Angelopoulos, Vassilis
Chi, Peter
Tanskanen, Eija
FRONTIERS IN ASTRONOMY AND SPACE SCIENCES, 2022, 9
[39] tableone: An open source Python']Python package for producing summary statistics for research papers
Pollard, Tom J.
Johnson, Alistair E. W.
Raffa, Jesse D.
Mark, Roger G.
JAMIA OPEN, 2018, 1 (01) : 26 - 31
[40] pyActigraphy, an open-source python']python package for actigraphy data visualisation and analysis
Hammad, G.
Reyt, M.
Beliy, N.
Baillet, M.
Deantoni, M.
Lesoinne, A.
Muto, V.
Schmidt, C.
JOURNAL OF SLEEP RESEARCH, 2020, 29 : 291 - 292

← 1 2 3 4 5 →