Thierry Deutsch

Physics and Astronomy · Physical Sciences

28h-index7.8kcitations87works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(22), Spectroscopy and Quantum Chemical Studies(9), Distributed and Parallel Computing Systems(7), Semiconductor materials and interfaces(7), X-ray Diffraction in Crystallography(7)

Publications87 total

Reproducible container solutions for codes and workflows in materials science
arXiv (Cornell University)·2025Open Access
Flexibilities of Wavelets as a Computational Basis Set for Large-Scale Electronic Structure Calculations
2022
Exact solution of the many-body problem with a\n $\\mathcal{O}\\left(n^6\\right)$ complexity
arXiv (Cornell University)·2021Open Access
Digital sciences and high performance computing
2020
Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations
The Journal of Chemical Physics·2020· 108 citedOpen Access
Instrumental Data Management and Scientific Workflow Execution: the CEA Case Study
2019Open Access
Computing Raman Spectra With Wavelets Using The BigDFT Code
Bulletin of the American Physical Society·2019
Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers
APS March Meeting Abstracts·2019
Towards Paradigm Shifts in Electronic Structure Calculation for Large Systems: Wavelets, Fragments and Advanced Treatments of Excited States
APS·2019
Reproducibility in LR-TDDFT: The Importance of The Continuum of Unoccupied Orbitals
Bulletin of the American Physical Society·2018
A Collection of White Papers from the BDEC2 Workshop in Bloomington, IN
2018
Oxygen in silicon: Switch in the diffusion-mediated mechanism
Physical review. B./Physical review. B·2017· 2 cited
BOAST
The International Journal of High Performance Computing Applications·2017· 10 citedOpen Access
SERENADE: safer and ecodesign research and education applied to nanomaterial development, the new generation of materials safer by design
Environmental Science Nano·2017· 24 citedOpen Access
Challenges in large scale quantum mechanical calculations
Wiley Interdisciplinary Reviews Computational Molecular Science·2016· 147 citedOpen Access
Reproducibility in density functional theory calculations of solids
Science·2016· 1.6k citedOpen Access
The flexibility of Daubechies wavelets for Linear Scaling DFT calculations
Bulletin of the American Physical Society·2016
Enhancing Linear-Scaling DFT for Extended Systems via a QM/QM Fragment Approach
Bulletin of the American Physical Society·2016
Wavelet-Based Density Functional Theory on Massively Parallel Hybrid Architectures
HAL (Le Centre pour la Communication Scientifique Directe)·2016
Wavelet‐Based Density Functional Theory on Massively Parallel Hybrid Architectures
2016· 5 cited
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Frequent Co-authors

Luigi Genovese(28), Stefan Goedecker(18), Damien Caliste(12), Pascal Pochet(6), Frédéric Lançon(6), Laura E. Ratcliff(5), Jean‐François Méhaut(5), Ivan Duchemin(5), Brice Videau(5), Alexey Neelov(4), Stephan Mohr(4), Xavier Blase(4), P Boulanger(3), Marc Torrent(3), S. Alireza Ghasemi(3), Bhaarathi Natarajan(3), Mark E. Casida(3), Matthieu Ospici(3), P. Bayle(3), B. Gilles(3)