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Lionel A. Truflandier
Lionel A. Truflandier
University of Bordeaux
Density matrix
Molecular dynamics
Density functional theory
Chemistry
Linear scale
9
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57
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Large scale and linear scaling DFT with the CONQUEST code.
2020
arXiv: Computational Physics
Ayako Nakata
Jack S Baker
Shereif Y Mujahed
Jack T. L. Poulton
Sergiu Arapan
Jianbo Lin
Zamaan Raza
Sushma Yadav
Lionel A. Truflandier
Tsuyoshi Miyazaki
David R. Bowler
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Citations (7)
Large scale and linear scaling DFT with the CONQUEST code.
2020
Journal of Chemical Physics
Ayako Nakata
Jack S Baker
Shereif Y Mujahed
Jack T. L. Poulton
Sergiu Arapan
Jianbo Lin
Zamaan Raza
Sushma Yadav
Lionel A. Truflandier
Tsuyoshi Miyazaki
David R. Bowler
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Large scale and linear scaling DFT with the CONQUEST code.
2020
Journal of Chemical Physics
Ayako Nakata
Jack S Baker
Shereif Y Mujahed
Jack T. L. Poulton
Sergiu Arapan
Jianbo Lin
Zamaan Raza
Sushma Yadav
Lionel A. Truflandier
Tsuyoshi Miyazaki
David R. Bowler
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Citations (4)
Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs.
2020
Journal of Computational Chemistry
Teruo Hirakawa
David R. Bowler
Tsuyoshi Miyazaki
Yoshitada Morikawa
Lionel A. Truflandier
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Citations (3)
Communication: Generalized canonical purification for density matrix minimization.
2016
Journal of Chemical Physics
Lionel A. Truflandier
Rivo M. Dianzinga
David R. Bowler
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Citations (16)
1