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Large scale and linear scaling DFT with the CONQUEST code.
Nakata A, Baker JS, Mujahed SY, Poulton JTL, Arapan S, Lin J, Raza Z, Yadav S, Truflandier L, Miyazaki T, Bowler DR. Nakata A, et al. Among authors: raza z. J Chem Phys. 2020 Apr 30;152(16):164112. doi: 10.1063/5.0005074. J Chem Phys. 2020. PMID: 32357801
From cellulose to kerogen: molecular simulation of a geological process.
Atmani L, Bichara C, Pellenq RJ, Van Damme H, van Duin ACT, Raza Z, Truflandier LA, Obliger A, Kralert PG, Ulm FJ, Leyssale JM. Atmani L, et al. Among authors: raza z. Chem Sci. 2017 Dec 1;8(12):8325-8335. doi: 10.1039/c7sc03466k. Epub 2017 Oct 10. Chem Sci. 2017. PMID: 29619179 Free PMC article.
120 results