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M. Mahdi Davari Esfahani
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Synthesis of clathrate cerium superhydride CeH9 at 80-100 GPa with atomic hydrogen sublattice
NP Salke, MM Davari Esfahani, Y Zhang, IA Kruglov, J Zhou, Y Wang, ...
Nature communications 10 (1), 4453, 2019
1312019
Superconductivity of and polyhydrides
IA Kruglov, DV Semenok, H Song, R Szczęśniak, IA Wrona, R Akashi, ...
Physical Review B 101 (2), 024508, 2020
822020
Superconductivity of novel tin hydrides (Sn-H) under pressure
MM Davari Esfahani, Z Wang, AR Oganov, H Dong, Q Zhu, S Wang, ...
Scientific reports 6, 2016
522016
Novel superhard B–C–O phases predicted from first principles
S Wang, AR Oganov, G Qian, Q Zhu, H Dong, X Dong, MMD Esfahani
Physical Chemistry Chemical Physics 18 (3), 1859-1863, 2016
462016
Prediction of a new ground state of superhard compound B6O at ambient conditions
H Dong, AR Oganov, Q Wang, SN Wang, Z Wang, J Zhang, ...
Scientific reports 6 (1), 31288, 2016
382016
Refined phase diagram of the H-S system with high-Tc superconductivity
I Kruglov, R Akashi, S Yoshikawa, AR Oganov, MMD Esfahani
Physical Review B 96 (22), 220101, 2017
322017
Superconductivity and unexpected chemistry of germanium hydrides under pressure
MM Davari Esfahani, AR Oganov, H Niu, J Zhang
Physical Review B 95 (13), 134506, 2017
272017
First-principles investigation of Zr-O compounds, their crystal structures, and mechanical properties
J Zhang, AR Oganov, X Li, M Mahdi Davari Esfahani, H Dong
Journal of Applied Physics 121 (15), 2017
252017
Boron oxides under pressure: Prediction of the hardest oxides
H Dong, AR Oganov, VV Brazhkin, Q Wang, J Zhang, MMD Esfahani, ...
Physical Review B 98 (17), 174109, 2018
242018
Novel magnesium borides and their superconductivity
MM Davari Esfahani, Q Zhu, H Dong, AR Oganov, S Wang, MS Rakitin, ...
Physical Chemistry Chemical Physics, 2017
142017
A novel phase of beryllium fluoride at high pressure
MS Rakitin, AR Oganov, H Niu, MMD Esfahani, XF Zhou, GR Qian, ...
Physical Chemistry Chemical Physics 17 (39), 26283-26288, 2015
122015
Unraveling the hidden martensitic phase transition in baclf and pbclf under high pressure using an ab initio evolutionary approach
N Yedukondalu, MM Davari Esfahani
Inorganic chemistry 58 (9), 5886-5899, 2019
112019
Prediction and synthesis of dysprosium hydride phases at high pressure
NP Salke, MM Davari Esfahani, N Yedukondalu, Y Zhang, IA Kruglov, ...
Inorganic Chemistry 59 (8), 5303-5312, 2020
92020
Synthesis of clathrate cerium superhydride CeH9 at 80 GPa with anomalously short H.. H distance
NP Salke, MM Davari Esfahani, Y Zhang, IA Kruglov, J Zhou, Y Wang, ...
ArXiv. org 1805, 2018
92018
Superconductivity in LaH10: a new twist of the story
IA Kruglov, DV Semenok, R Szcęśniak, MMD Esfahani, AG Kvashnin, ...
arXiv preprint arXiv:1810.01113, 1-28, 2018
72018
Theoretical and Experimental Investigations into Novel Oxynitride Discovery in the GaN-TiO2 System at High Pressure
A James, MM Davari Esfahani,, WR Woerner, A Sinclair, L Ehm, ...
Crystals 8 (2), 2018
52018
Computational materials discovery using evolutionary algorithms
AR Oganov, I Kruglov, J Zhang, MM Davari Esfahani
32018
Universal Structure Predictor: Evolutionary Xtallography
AR Oganov, CW Glass, AO Lyakhov, Q Zhu, GR Qian, HT Stokes, ...
Manual 9, 108, 0
3
USPEX: Universal Structure Predictor: Evolutionary Xtallography
AR Oganov, CW Glass, AO Lyakhov, HT Stokes, Q Zhu, R Agarwal, ...
2
Superconductivity of LaH10 and LaH16: new twists of the story
IA Kruglov, DV Semenok, H Song, R Szczęśniak, IA Wrona, R Akashi, ...
arXiv preprint arXiv:1810.01113, 2019
12019
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