Damien Caliste

Publications

Article dans une revue (24)

Contrasting character of Cr and Mn solitary dopants in CdTe Sameer Gupta,Damien Caliste,Pascal Pochet Materials Today Quantum, 2025, 6, pp.100032. ⟨10.1016/j.mtquan.2025.100032⟩ Article dans une revue hal-05377015v1
Passivation mechanism in CdTe solar cells: The hybrid role of Se Selva Chandrasekaran Selvaraj,Sameer Gupta,Damien Caliste,Pascal Pochet Applied Physics Letters, 2021, 119 (6), pp.062105. ⟨10.1063/5.0058290⟩ Article dans une revue hal-04102149v1
Hole-Cr+ nanomagnet in a semiconductor quantum dot V. Tiwari,M. Arino,S. Gupta,M. Morita,T. Inoueet al. Physical Review B, 2021, 104 (4), pp.L041301. ⟨10.1103/PhysRevB.104.L041301⟩ Article dans une revue hal-03299066v1
Rocking Curve Imaging Investigation of the Long-Range Distortion Field between Parallel Dislocations with Opposite Burgers Vectors Thu Nhi Tran Caliste,Alexis Drouin,Damien Caliste,Carsten Detlefs,Jose Baruchel Applied Sciences, 2021, 11 (19), pp.9054-1-9054-10. ⟨10.3390/app11199054⟩ Article dans une revue hal-03722410v1
Single artificial atoms in silicon emitting at telecom wavelengths Walid Redjem,Alrik Durand,Tobias Herzig,Abdennacer Benali,Sébastien Pezzagnaet al. Nature Electronics, 2020, 3 (12), pp.738-743. ⟨10.1038/s41928-020-00499-0⟩ Article dans une revue hal-03036607v1
Thermodynamics and Related Kinetics of Staging in Intercalation Compounds Marion Chandesris,Damien Caliste,Didier Jamet,Pascal Pochet Journal of Physical Chemistry C, 2019, 123 (38), pp.23711-23720. ⟨10.1021/acs.jpcc.9b05298⟩ Article dans une revue hal-02384578v1
Mg and In Codoped p-type AlN Nanowires for pn Junction Realization Alexandra-Madalina Siladie,Gwenolé Jacopin,Ana Cros,Nuria Garro,Eric Robinet al. Nano Letters, 2019, 19 (12), pp.8357-8364. ⟨10.1021/acs.nanolett.9b01394⟩ Article dans une revue hal-03082581v1
Incommensurate grain boundary in silicon and the silver-ratio sequence Frédéric Lançon,Nina Gunkelmann,Damien Caliste,Jean-Luc Rouvière Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2019, 100 (11), ⟨10.1103/PhysRevB.100.115307⟩ Article dans une revue hal-02284426v1
Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124 , 086101 (2018)] Dilyara Timerkaeva,Claudio Attaccalite,Gilles Brenet,Damien Caliste,Pascal Pochet Journal of Applied Physics, 2018, 124 (8), pp.086102. ⟨10.1063/1.5044186⟩ Article dans une revue hal-01972471v1
Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles Dilyara Timerkaeva,Claudio Attaccalite,Gilles Brenet,Damien Caliste,Pascal Pochet Journal of Applied Physics, 2018, 123 (16), pp.161421. ⟨10.1063/1.5010269⟩ Article dans une revue hal-02141908v1
Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library Stephan Mohr,William Dawson,Michael Wagner,Damien Caliste,Takahito Nakajimaet al. Journal of Chemical Theory and Computation, 2017, 13 (10), pp.4684-4698. ⟨10.1021/acs.jctc.7b00348⟩ Article dans une revue hal-02143323v1
Oxygen in silicon: Switch in the diffusion-mediated mechanism Dilyara Timerkaeva,Damien Caliste,Thierry Deutsch,Pascal Pochet Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (19), ⟨10.1103/PhysRevB.96.195306⟩ Article dans une revue hal-02072623v1
Interface identification of the solid electrolyte interphase on graphite Elena Zvereva,Damien Caliste,Pascal Pochet Carbon, 2017, 111, pp.789-795. ⟨10.1016/j.carbon.2016.10.063⟩ Article dans une revue hal-02143313v1
Synchrotron Bragg diffraction imaging characterization of synthetic diamond crystals for optical and electronic power device applications Thu Nhi Tran Thi,J. Morse,D. Caliste,B. Fernandez,David Eonet al. Journal of Applied Crystallography, 2017, 50 (2), pp.561-569. ⟨10.1107/S1600576717003831⟩ Article dans une revue hal-01691844v1
Recent developments in the ABINIT software package B. van Troeye,J. W. Zwanziger,Xavier Gonze,F. Jollet,F. Abreu Araujoet al. Computer Physics Communications, 2016, 205, pp.106-131. ⟨10.1016/j.cpc.2016.04.003⟩ Article dans une revue cea-01849847v1
Reproducibility in density functional theory calculations of solids Kurt Lejaeghere,Gustav Bihlmayer,Torbjoern Bjoerkman,Peter Blaha,Stefan Bluegelet al. Science, 2016, 351 (6280), pp.1415-U81. ⟨10.1126/science.aad3000⟩ Article dans une revue cea-01849842v1
Toward the III-V/Si co-integration by controlling the biatomic steps on hydrogenated Si(001) Mickael Martin,Damien Caliste,R. Cipro,R. Alcotte,J. Moeyaertet al. Applied Physics Letters, 2016, 109 (25), pp.253103. ⟨10.1063/1.4972394⟩ Article dans une revue cea-01851579v1
A wavelet-based Projector Augmented-Wave (PAW) method: Reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set T. Rangel,Damien Caliste,Luigi Genovese,Marc Torrent Computer Physics Communications, 2016, 208, pp.1-8. ⟨10.1016/j.cpc.2016.06.012⟩ Article dans une revue cea-01851575v1
Accurate and efficient linear scaling DFT calculations with universal applicability Stephan Mohr,Laura E. Ratcliff,Luigi Genovese,Damien Caliste,Paul Boulangeret al. Physical Chemistry Chemical Physics, 2015, 17 (47), pp.31360-31370. ⟨10.1039/c5cp00437c⟩ Article dans une revue hal-01616550v1
An atomistic vision of the Mass Action Law: Prediction of carbon/oxygen defects in silicon Gilles Brenet,Dilyara Timerkaeva,E. N. Sgourou,C. A. Londos,Damien Calisteet al. Journal of Applied Physics, 2015, 118 (12), pp.125706. ⟨10.1063/1.4931569⟩ Article dans une revue hal-01587604v1
Daubechies Wavelets for Linear Scaling Density Functional Theory Stephan Mohr,Laura E. Ratcliff,Paul Boulanger,Luigi Genovese,Damien Calisteet al. The Journal of Chemical Physics, 2014, 140 (20), pp.204110. ⟨10.1063/1.4871876⟩ Article dans une revue hal-01334186v1
Revisiting the domain model for lithium intercalated graphite Sridevi Krishnan,Gilles Brenet,Eduardo Machado-Charry,Damien Caliste,Luigi Genoveseet al. Applied Physics Letters, 2013, 103 (25), pp.251904. ⟨10.1063/1.4850877⟩ Article dans une revue hal-02072710v1
Crystal Structure of Cold Compressed Graphite Maximilian Amsler,Jose A. Flores-Livas,Lauri Lehtovaara,Félix Balima,S. Alireza Ghasemiet al. Physical Review Letters, 2012, 108, pp.065501. ⟨10.1103/PhysRevLett.108.065501⟩ Article dans une revue hal-00781217v1
Daubechies wavelets as a basis set for density functional pseudopotential calculations Luigi Genovese,Alexey Neelov,Stefan Goedecker,Thierry Deutsch,Seyed Alireza Ghasemiet al. The Journal of Chemical Physics, 2008, 129 (1), pp.014109. ⟨10.1063/1.2949547⟩ Article dans une revue hal-02194904v1

Logiciel (8)

psolver Luigi Genovese,Giuseppe Fisicaro,Damien Caliste,Christoph Bauinger,Thierry Deutschet al. 2025, ⟨swh:1:dir:75af7b517af63587a820ecf7c6591612fd7d9211⟩ Logiciel hal-05012273v1
Futile Luigi Genovese,Damien Caliste,Thierry Deutsch,Stephan Mohr,Augustin Degommeet al. 2025, ⟨swh:1:dir:43f4a3df363cae56e3900141d73bed3d47ba8e79⟩ Logiciel hal-05010623v1
PyBigDFT Luigi Genovese,William Dawson,Louis Beal,Thierry Deutsch,Damien Calisteet al. 2025, ⟨swh:1:dir:a2061782f2075724fe8c246e019b7d2105794368⟩ Logiciel hal-05012294v1
atlab Luigi Genovese,Damien Caliste 2025, ⟨swh:1:dir:f82294388926194a2777cfc1f3fb670e2732830e⟩ Logiciel hal-05012322v1
liborbs Damien Caliste,Luigi Genovese,Laura Ratcliff 2025, ⟨swh:1:dir:fbd0ac0f05d89951f13b7f9afd5043aab3a645f4;origin=https://gitlab.com/l_sim/liborbs.git;visit=swh:1:snp:538da59710a1bbadc221862435fae693bb4d0ef6;anchor=swh:1:rev:11e1f8b1c0a46079d70fff01c68ea6b223913f1e⟩ Logiciel hal-05012279v1
CheSS Stephan Mohr,Luigi Genovese,William Dawson,Damien Caliste,Laura Ratcliffet al. 2025, ⟨swh:1:dir:b9a1324dda264c445352cef6117c0aa80ec3d2d1;origin=https://gitlab.com/l_sim/chess.git;visit=swh:1:snp:ac00e402b34dacf180cc8a1c81cdf1e66b05213a;anchor=swh:1:rev:2a004502a9e47f6462640e9b35f4b7dba627e148⟩ Logiciel hal-05010584v1
BigDFT Luigi Genovese,Damien Caliste,Stephan Mohr,Thierry Deutsch,Giuseppe Fisicaroet al. 2008, ⟨swh:1:dir:1520d29500c8af409a9f01185c4d304d2576772a⟩ Logiciel hal-05012338v1
V_Sim Damien Caliste,Luc Billard 2005, ⟨swh:1:dir:6991b4f76152ce8c3c65363819cbac3c28b0b883⟩ Logiciel hal-05010468v1

Cours (1)

Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations Laura Ratcliff,William Dawson,Giuseppe Fisicaro,Damien Caliste,Stephan Mohret al. Doctoral. France. 2020 Cours hal-04860908v1

Pré-publication, Document de travail (1)

What is the nature of the C-C complex in silicon? Insights from electronic structure calculations Dilyara Timerkaeva,Claudio Attaccalite,Gilles Brenet,Damien Caliste,Pascal Pochet 2017 Pré-publication, Document de travail hal-01635491v1

Chapitre d'ouvrage (1)

Wavelet-Based Density Functional Theory on Massively Parallel Hybrid Architectures Luigi Genovese,Brice Videau,Damien Caliste,Jean-François Méhaut,Stefan Goedeckeret al. Ross Walker. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics, Wiley-Blackwell, 2016, 1118661788 Chapitre d'ouvrage hal-01239245v1

Thèse (1)

Simulations multi-échelles de la diffusion des défauts dans les semi-conducteurs Si et SiGe Damien Caliste Matière Condensée [cond-mat]. Université Joseph-Fourier - Grenoble I, 2005. Français. ⟨NNT : ⟩ Thèse tel-00011180v1