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Volker Blum
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2020 – today
- 2023
- [j13]Pavel V. Stishenko
, Thomas W. Keal
, Scott M. Woodley
, Volker Blum
, Benjamin Hourahine
, Reinhard Johann Maurer
, Andrew J. Logsdail
:
Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. J. Open Source Softw. 8(86): 5186 (2023) - 2021
- [j12]Victor Wen-zhe Yu
, Jonathan Moussa
, Pavel Kus
, Andreas Marek, Peter Messmer, Mina Yoon, Hermann Lederer
, Volker Blum
:
GPU-acceleration of the ELPA2 distributed eigensolver for dense symmetric and hermitian eigenproblems. Comput. Phys. Commun. 262: 107808 (2021) - [j11]Sebastian Kokott
, Iker Hurtado
, Christian Vorwerk
, Claudia Draxl
, Volker Blum
, Matthias Scheffler
:
GIMS: Graphical Interface for Materials Simulations. J. Open Source Softw. 6(57): 2767 (2021) - 2020
- [j10]William P. Huhn
, Björn Lange, Victor Wen-zhe Yu
, Mina Yoon
, Volker Blum
:
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions. Comput. Phys. Commun. 254: 107314 (2020) - [j9]Victor Wen-zhe Yu
, Carmen Campos
, William Dawson
, Alberto García
, Ville Havu, Ben Hourahine
, William P. Huhn
, Mathias Jacquelin
, Weile Jia, Murat Keçeli
, Raul Laasner
, Yingzhou Li
, Lin Lin, Jianfeng Lu
, Jonathan Moussa
, José E. Román
, Álvaro Vázquez-Mayagoitia
, Chao Yang, Volker Blum
:
ELSI - An open infrastructure for electronic structure solvers. Comput. Phys. Commun. 256: 107459 (2020) - [j8]Raul Laasner
, Xiaochen Du
, Aditya Tanikanti, Connor Clayton, Marco Govoni
, Giulia Galli, Matti Ropo, Volker Blum
:
MatD^3^: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination. J. Open Source Softw. 5(45): 1945 (2020)
2010 – 2019
- 2018
- [j7]Victor Wen-zhe Yu, Fabiano Corsetti
, Alberto García
, William P. Huhn
, Mathias Jacquelin
, Weile Jia, Björn Lange, Lin Lin, Jianfeng Lu
, Wenhui Mi
, Ali Seifitokaldani
, Álvaro Vázquez-Mayagoitia
, Chao Yang, Haizhao Yang, Volker Blum
:
ELSI: A unified software interface for Kohn-Sham electronic structure solvers. Comput. Phys. Commun. 222: 267-285 (2018) - 2015
- [j6]Franz Knuth, Christian Carbogno
, Viktor Atalla, Volker Blum
, Matthias Scheffler:
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Comput. Phys. Commun. 190: 33-50 (2015) - [j5]Sergey V. Levchenko
, Xinguo Ren, Jürgen Wieferink, Rainer Johanni, Patrick Rinke
, Volker Blum
, Matthias Scheffler:
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Comput. Phys. Commun. 192: 60-69 (2015) - [j4]Adriana Supady, Volker Blum
, Carsten Baldauf:
First-Principles Molecular Structure Search with a Genetic Algorithm. J. Chem. Inf. Model. 55(11): 2338-2348 (2015) - 2011
- [j3]Thomas Auckenthaler, Volker Blum
, Hans-Joachim Bungartz, Thomas Huckle, Rainer Johanni, Lukas Krämer, Bruno Lang, Hermann Lederer, Paul R. Willems:
Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations. Parallel Comput. 37(12): 783-794 (2011)
2000 – 2009
- 2009
- [j2]Volker Blum
, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter
, Matthias Scheffler:
Ab initio molecular simulations with numeric atom-centered orbitals. Comput. Phys. Commun. 180(11): 2175-2196 (2009) - [j1]Ville Havu, Volker Blum
, Paula Havu, Matthias Scheffler:
Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. J. Comput. Phys. 228(22): 8367-8379 (2009)
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