First-principles determination of multicomponent hydride phase diagrams: application to the Li-Mg-NH system AR Akbarzadeh, V Ozolins, C Wolverton
Advanced Materials (Weinheim) 19, 2007
266 2007 Finite-Temperature Properties of AR Akbarzadeh, S Prosandeev, EJ Walter, A Al-Barakaty, L Bellaiche
Physical review letters 108 (25), 257601, 2012
186 2012 Combined theoretical and experimental study of the low-temperature properties of AR Akbarzadeh, I Kornev, C Malibert, L Bellaiche, JM Kiat
Physical Review B—Condensed Matter and Materials Physics 72 (20), 205104, 2005
167 2005 Discovery of novel hydrogen storage materials: an atomic scale computational approach C Wolverton, DJ Siegel, AR Akbarzadeh, V Ozoliņš
Journal of Physics: Condensed Matter 20 (6), 064228, 2008
134 2008 Field-induced percolation of polar nanoregions in relaxor ferroelectrics S Prosandeev, D Wang, AR Akbarzadeh, B Dkhil, L Bellaiche
Physical review letters 110 (20), 207601, 2013
115 2013 Microscopic origins of the large piezoelectricity of leadfree (Ba,Ca)(Zr,Ti)O3 Y Nahas, A Akbarzadeh, S Prokhorenko, S Prosandeev, R Walter, ...
Nature communications 8, 15944, 2017
98 2017 Atomistic simulations of the incipient ferroelectric AR Akbarzadeh, L Bellaiche, K Leung, J Íñiguez, D Vanderbilt
Physical Review B—Condensed Matter and Materials Physics 70 (5), 054103, 2004
74 2004 First-principles determination of crystal structures, phase stability, and reaction thermodynamics in the Li-Mg-Al-H hydrogen storage system AR Akbarzadeh, C Wolverton, V Ozolins
Physical Review B—Condensed Matter and Materials Physics 79 (18), 184102, 2009
73 2009 First-Principles Study of the Li− Mg− N− H System: Compound Structures and Hydrogen-Storage Properties KJ Michel, AR Akbarzadeh, V Ozolins
The Journal of Physical Chemistry C 113 (32), 14551-14558, 2009
36 2009 First-principles computational discovery of materials for hydrogen storage V Ozolins, AR Akbarzadeh, H Gunaydin, K Michel, C Wolverton, ...
Journal of Physics: Conference Series 180 (1), 012076, 2009
26 2009 Theoretical phase diagram of ultrathin films of incipient ferroelectrics AR Akbarzadeh, L Bellaiche, J Íniguez, D Vanderbilt
Applied physics letters 90 (24), 2007
26 2007 First-principles-based effective Hamiltonian simulations of bulks and films made of lead-free Ba(Zr,Ti)O3 relaxor ferroelectrics S Prosandeev, D Wang, AR Akbarzadeh, L Bellaiche
Journal of Physics.: Condensed Matter 27, 223202, 2015
23 2015 Crucial role of surface in stability and mobility of vacancy clusters in metals AR Akbarzadeh, ZZ Chen, N Kioussis
Physical Review B—Condensed Matter and Materials Physics 79 (19), 195404, 2009
19 2009 Quantum-fluctuation-stabilized orthorhombic ferroelectric ground state in lead-free piezoelectric (Ba, Ca)(Zr, Ti) O A Akbarzadeh, K Brajesh, Y Nahas, N Kumar, S Prokhorenko, D Swain, ...
Physical Review B 98, 104101, 2018
18 2018 First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH WQ Sun, C Wolverton, AR Akbarzadeh, V Ozolins
Physical Review B—Condensed Matter and Materials Physics 83 (6), 064112, 2011
17 2011 Discovery of incipient ferrotoroidics from atomistic simulations S Prosandeev, AR Akbarzadeh, L Bellaiche
Physical review letters 102 (25), 257601, 2009
17 2009 Terahertz pulse induced second harmonic generation and Kerr effect in the quantum paraelectric X Li, P Peng, H Dammak, G Geneste, A Akbarzadeh, S Prosandeev, ...
Physical Review B 107 (6), 064306, 2023
6 2023 Metalloboranes from first-principles calculations: A candidate for high-density hydrogen storage AR Akbarzadeh, D Vrinceanu, CJ Tymczak
arXiv preprint arXiv:1512.02128, 2015
1 2015 Erratum: First-principles prediction of high-capacity, thermodynamically reversible hydrogen storage reactions based on (NH83 , 064112 … WQ Sun, C Wolverton, AR Akbarzadeh, V Ozolins
Physical Review B—Condensed Matter and Materials Physics 84 (9), 099902, 2011
1 2011 High density H2 associative absorption on Titanium alpha-borozene (Ti2B6H6): An ab-initio case study A Akbarzadeh, CJ Tymzcak
APS March Meeting Abstracts 2011, K1. 081, 2011
1 2011 
Vidvuds OzolinsProfessor of Applied Physics, Yale UniversityEmail verificata su yale.edu