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Lionel A. Truflandier
Lionel A. Truflandier
Chemistry
Density matrix
Computational chemistry
Scaling
Linear scale
6
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18
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From cellulose to kerogen: molecular simulation of a geological process††Electronic supplementary information (ESI) available: Fig. S1–S6 and Tables S1 and S2. See DOI: 10.1039/c7sc03466k
2017
Lea Atmani
Christophe Bichara
R. J.-M. Pellenq
Henri Van Damme
Adri C. T. van Duin
Zamaan Raza
Lionel A. Truflandier
Amaël Obliger
Paul G. Kralert
Franz-J. Ulm
Jean-Marc Leyssale
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From cellulose to kerogen: molecular simulation of a geological process
2017
The Royal Society of Chemistry
Lea Atmani
Christophe Bichara
Henri Van Damme
Adri C. T. van Duin
Zamaan Raza
Lionel A. Truflandier
Amaël Obliger
Paul G. Kralert
Jean-Marc Leyssale
Roland J.-M. Pellenq
Franz-Josef Ulm
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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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Comment on "Accurate and Scalable O(N) Algorithm for First-Principles Molecular-Dynamics Computations on Large Parallel Computers"
2014
arXiv: Materials Science
David R. Bowler
Tsuyoshi Miyazaki
Lionel A. Truflandier
M. J. Gillan
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Linear-scaling implementation of exact exchange using the density matrix: method and accuracy
2011
Lionel A. Truflandier
David R. Bowler
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