Items where Author is "Caliste, Damien"

2020

Ratcliff, Laura E. and Dawson, William and Fisicaro, Giuseppe and Caliste, Damien and Mohr, Stephan and Degomme, Augustin and Videau, Brice and Cristiglio, Viviana and Stella, Martina and D'Alessandro, Marco and Goedecker, Stefan and Nakajima, Takahito and Deutsch, Thierry and Genovese, Luigi. (2020) Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations. Journal of Chemical Physics, 152 (19). p. 194110.

2016

Lejaeghere, Kurt and Bihlmayer, Gustav and Bjoerkman, Torbjoern and Blaha, Peter and Bluegel, Stefan and Blum, Volker and Caliste, Damien and Castelli, Ivano E. and Clark, Stewart J. and Dal Corso, Andrea and de Gironcoli, Stefano and Deutsch, Thierry and Dewhurst, John Kay and Di Marco, Igor and Draxl, Claudia and Dulak, Marcin and Eriksson, Olle and Flores-Livas, Jose A. and Garrity, Kevin F. and Genovese, Luigi and Giannozzi, Paolo and Giantomassi, Matteo and Goedecker, Stefan and Gonze, Xavier and Granaes, Oscar and Gross, E. K. U. and Gulans, Andris and Gygi, Francois and Hamann, D. R. and Hasnip, Phil J. and Holzwarth, N. A. W. and Iusan, Diana and Jochym, Dominik B. and Jollet, Francois and Jones, Daniel and Kresse, Georg and Koepernik, Klaus and Kuecuekbenli, Emine and Kvashnin, Yaroslav O. and Locht, Inka L. M. and Lubeck, Sven and Marsman, Martijn and Marzari, Nicola and Nitzsche, Ulrike and Nordstrom, Lars and Ozaki, Taisuke and Paulatto, Lorenzo and Pickard, Chris J. and Poelmans, Ward and Probert, Matt I. J. and Refson, Keith and Richter, Manuel and Rignanese, Gian-Marco and Saha, Santanu and Scheffler, Matthias and Schlipf, Martin and Schwarz, Karlheinz and Sharma, Sangeeta and Tavazza, Francesca and Thunstroem, Patrik and Tkatchenko, Alexandre and Torrent, Marc and Vanderbilt, David and van Setten, Michiel J. and Van Speybroeck, Veronique and Wills, John M. and Yates, Jonathan R. and Zhang, Guo-Xu and Cottenier, Stefaan. (2016) Reproducibility in density functional theory calculations of solids. Science, 351 (6280). pp. 1415-U81.

2015

Mohr, Stephan and Ratcliff, Laura E. and Genovese, Luigi and Caliste, Damien and Boulanger, Paul and Goedecker, Stefan and Deutsch, Thierry. (2015) Accurate and efficient linear scaling DFT calculations with universal applicability. Physical Chemistry Chemical Physics, 17 (47). pp. 31360-31370.

2014

Mohr, Stephan and Ratcliff, Laura E. and Boulanger, Paul and Genovese, Luigi and Caliste, Damien and Deutsch, Thierry and Goedecker, Stefan. (2014) Daubechies wavelets for linear scaling density functional theory. Journal of Chemical Physics, 140 (20). p. 204110.

2012

Amsler, Maximilian and Flores-Livas, Jose A. and Lehtovaara, Lauri and Balima, Felix and Ghasemi, S. Alireza and Machon, Denis and Pailhes, Stephane and Willand, Alexander and Caliste, Damien and Botti, Silvana and San Miguel, Alfonso and Goedecker, Stefan and Marques, Miguel A. L.. (2012) Crystal Structure of Cold Compressed Graphite. Physical Review Letters, 108 (6). 065501.

2011

Pochet, Pascal and Genovese, Luigi and De, Sandip and Goedecker, Stefan and Caliste, Damien and Ghasemi, S. Alireza and Bao, Kuo and Deutsch, Thierry. (2011) Low-energy boron fullerenes: Role of disorder and potential synthesis pathways. PHYSICAL REVIEW B, 83 (8). 081403.

2010

Pochet, Pascal and Genovese, Luigi and Caliste, Damien and Rousseau, Ian and Goedecker, Stefan and Deutsch, Thierry. (2010) First-principles prediction of stable SiC cage structures and their synthesis pathways. Physical Review B, Vol. 82, H. 3 , 035431.

2008

Genovese, Luigi and Neelov, Alexey and Goedecker, Stefan and Deutsch, Thierry and Ghasemi, Seyed Alireza and Willand, Alexander and Caliste, Damien and Zilberberg, Oded and Rayson, Mark and Bergman, Anders and Schneider, Reinhold. (2008) Daubechies wavelets as a basis set for density functional pseudopotential calculations. Journal of Chemical Physics, 129 (1). 014109.