First-principles study of ferroelectricity and isotope effects in H-bonded S Koval, J Kohanoff, J Lasave, G Colizzi, RL Migoni
Physical Review B 71 (18), 184102, 2005
129 2005 Origin of Antiferroelectricity in J Lasave, S Koval, NS Dalal, RL Migoni
Physical review letters 98 (26), 267601, 2007
48 2007 Ab initio and shell model studies of structural, thermoelastic and vibrational properties of SnO2 under pressure RA Casali, J Lasave, MA Caravaca, S Koval, CA Ponce, RL Migoni
Journal of Physics: Condensed Matter 25 (13), 135404, 2013
34 2013 Slater and Takagi defects in J Lasave, S Koval, NS Dalal, R Migoni
Physical Review B 72 (10), 104104, 2005
31 2005 Proton Displacements Coupled to Primary Electron Transfer in the Rhodobacter sphaeroides Reaction Center TJ Eisenmayer, JA Lasave, A Monti, HJM de Groot, F Buda
The Journal of Physical Chemistry B 117 (38), 11162-11168, 2013
29 2013 Shell-model description of lattice dynamical properties of MgH2 J Lasave, F Dominguez, S Koval, MG Stachiotti, RL Migoni
Journal of Physics: Condensed Matter 17 (44), 7133, 2005
28 2005 Ab initio study of the structure, isotope effects, and vibrational properties in KDP crystalsR Menchón, G Colizzi, C Johnston, F Torresi, J Lasave, S Koval, ...
Physical Review B 98 (10), 104108, 2018
25 2018 Ab initio study of the one-dimensional H-bonded ferroelectric J Lasave, P Abufager, S Koval
Physical Review B 93 (13), 134112, 2016
22 2016 A shell model for the H-bonded ferroelectric KH2PO4 J Lasave, J Kohanoff, RL Migoni, S Koval
Physica B: Condensed Matter 404 (18), 2736-2738, 2009
18 2009 Phonons, instabilities and origin of polarization in KDP crystals G Colizzi, J Kohanoff, J Lasave, RL Migoni
Ferroelectrics 401 (1), 200-206, 2010
11 2010 Proton strings and rings in atypical nucleation of ferroelectricity in ice J Lasave, S Koval, A Laio, E Tosatti
Proceedings of the National Academy of Sciences 118 (1), e2018837118, 2021
6 2021 Ab initio studies of H-bonded systems: The cases of ferroelectric KH2PO4 and antiferroelectric NH4H2PO4 S Koval, J Kohanoff, J Lasave, NS Dalal, RL Migoni
INTECH Open Access Publisher, 2011
6 2011 Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP) J Lasave, S Koval, RL Migoni
Physica B: Condensed Matter 404 (18), 2749-2750, 2009
6 2009 Ab-initio investigations of pressure effects on the ferroelectric instabilities in KDP and DKDP G Colizzi, J Kohanoff, J Lasave, S Koval, RL Migoni
Ferroelectrics 301 (1), 61-64, 2004
6 2004 Shell Model Study of Local and Global Energy Barriers in KDP S Koval, J Lasave, J Kohanoff, R Migoni
Ferroelectrics 401 (1), 103-109, 2010
5 2010 Ab initio studies of the para-and antiferroelectric structures and local polarized configurations in NH4H2PO4 J Lasave, S Koval, RL Migoni, NS Dalal
The Journal of chemical physics 135 (8), 2011
4 2011 Ab Initio Study of the Microscopic Mechanism Leading to Antiferroelectricity in NH4 H2 PO4 (ADP) J Lasave, SF Koval, NS Dalal, RL Migoni
Ferroelectrics 363 (1), 13-20, 2008
2 2008 Ring population statistics in an ice lattice model A Khosravi, J Lasave, S Koval, E Tosatti
The Journal of Chemical Physics 155 (22), 2021
1 2021 Modeling the Magnetic Properties of 1D Arrays of FePc Molecules RE Pico, AF Rebola, J Lasave, P Abufager, IJ Hamad
The Journal of Physical Chemistry C, 2024
2024 Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KH RE Menchón, F Torresi, J Lasave, S Koval
arXiv preprint arXiv:2301.01538, 2023
2023 