Article (Scientific journals)
TDEP: Temperature Dependent Effective Potentials
Knoop, Florian; Shulumba, Nina; Castellano, Aloïs et al.
2024In Journal of Open Source Software, 9 (94), p. 1-7
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Research center :
CESAM - Complex and Entangled Systems from Atoms to Materials - ULiège [BE]
Disciplines :
Physics
Author, co-author :
Knoop, Florian
Shulumba, Nina
Castellano, Aloïs ;  Université de Liège - ULiège > Complex and Entangled Systems from Atoms to Materials (CESAM)
Alvarinhas Batista, José Pedro  ;  Université de Liège - ULiège > Complex and Entangled Systems from Atoms to Materials (CESAM)
Farris, Roberta
Verstraete, Matthieu  ;  Université de Liège - ULiège > Département de physique > Physique des matériaux et nanostructures
Heine, Matthew
Broido, David
Kim, Dennis S
Klarbring, Johan
Abrikosov, Igor A.
Simak, Sergei I.
Hellman, Olle
More authors (3 more) Less
Language :
English
Title :
TDEP: Temperature Dependent Effective Potentials
Publication date :
01 February 2024
Journal title :
Journal of Open Source Software
eISSN :
2475-9066
Publisher :
Open journals
Volume :
9
Issue :
94
Pages :
1-7
Peer reviewed :
Peer Reviewed verified by ORBi
Tags :
CÉCI : Consortium des Équipements de Calcul Intensif
Tier-1 supercomputer
Funders :
FWB - Fédération Wallonie-Bruxelles [BE]
F.R.S.-FNRS - Fonds de la Recherche Scientifique [BE]
Funding number :
21/25-11; 40007563
Funding text :
F.K. and O.H. acknowledge support from the Swedish Research Council (VR) program 2020- 04630, and the Swedish e-Science Research Centre (SeRC). Work at Boston College was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) under Award #DE-SC0021071. M.J.V., A.C., and J.P.B. acknowledge funding by ARC project DREAMS (G.A. 21/25-11) funded by Federation Wallonie Bruxelles and ULiege, and by Excellence of Science project CONNECT number 40007563 funded by FWO and FNRS. R.F. acknowledges financial support by the Spanish State Research Agency under grant number PID2022-139776NB-C62 funded by MCIN/AEI/ 10.13039/501100011033 and by ERDF A way of making Europe. J. K. acknowledges support from the Swedish Research Council (VR) program 2021-00486. I.A.A. and S.I.S. acknowledge support by the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University (Faculty Grant SFO-Mat-LiU No. 2009 00971). I.A.A. is a Wallenberg Scholar (grant no. KAW-2018.0194). S.I.S. acknowledges the support from Swedish Research Council (VR) (Project No. 2023-05247) and the ERC (synergy grant FASTCORR project 854843). F.K. thanks Christian Carbogno for introducing him to Olle.
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since 22 February 2024

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