First-principles study of ferroelectricity and isotope effects in H-bonded crystals S Koval, J Kohanoff, J Lasave, G Colizzi, RL Migoni Physical Review B—Condensed Matter and Materials Physics 71 (18), 184102, 2005 | 128 | 2005 |
Origin of Antiferroelectricity in from First Principles J Lasave, S Koval, NS Dalal, RL Migoni Physical review letters 98 (26), 267601, 2007 | 49 | 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 | 35 | 2013 |
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 | 31 | 2013 |
Slater and Takagi defects in from first principles J Lasave, S Koval, NS Dalal, R Migoni Physical Review B—Condensed Matter and Materials Physics 72 (10), 104104, 2005 | 31 | 2005 |
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 crystals R Menchón, G Colizzi, C Johnston, F Torresi, J Lasave, S Koval, ... Physical Review B 98 (10), 104108, 2018 | 26 | 2018 |
Ab initio study of the one-dimensional H-bonded ferroelectric J Lasave, P Abufager, S Koval Physical Review B 93 (13), 134112, 2016 | 23 | 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 | 19 | 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 | 7 | 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 NH4H2PO4 (ADP) J Lasave, SF Koval, NS Dalal, RL Migoni Ferroelectrics 363 (1), 13-20, 2008 | 2 | 2008 |
Shell-model and first-principles calculations of vibrational, structural and ferroelectric properties of KHPO RE Menchón, F Torresi, J Lasave, S Koval arXiv preprint arXiv:2301.01538, 2023 | 1 | 2023 |
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 128 (17), 7266-7274, 2024 | | 2024 |