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Bj orn Lange
Bj orn Lange
Physics
Electronic structure
Molecular physics
Kohn–Sham equations
Materials science
5
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GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code
2017
Bulletin of the American Physical Society
William Huhn
Bj orn Lange
Victor L. Yu
Volker Blum
Seyong Lee
Mina Yoon
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A Unified Software Interface to Solve or Circumvent the Kohn-Sham Eigenvalue Problem: ELSI
2017
Bulletin of the American Physical Society
Victor L. Yu
William Huhn
Bj orn Lange
Volker Blum
Fabiano Corsetti
Lin Lin
Jianfeng Lu
Alvaro Vazquez-Mayagoita
Chao Yang
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Ab Initio Based 2D Continuum Mechanics -- Sensitivity Prediction for Contact Resonance Atomic Force Microscopy Based Structure Fingerprints
2016
Bulletin of the American Physical Society
Qing Tu
Bj orn Lange
J. Marcelo. J Lopes
Stefan Zauscher
Volker Blum
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Local atomic energies from optimal atomic orbitals
2013
Bulletin of the American Physical Society
Bj orn Lange
Christoph Freysoldt
J "org Neugebauer
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Optimized basis sets for coarse-grained electronic structure calculations of point defects
2011
Bulletin of the American Physical Society
Bj orn Lange
Christoph Freysoldt
J "org Neugebauer
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