| BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures J Deslippe, G Samsonidze, DA Strubbe, M Jain, ML Cohen, SG Louie Computer Physics Communications 183 (6), 1269-1289, 2012 | 999 | 2012 |
| Ultraflatbands and shear solitons in moiré patterns of twisted bilayer transition metal dichalcogenides MH Naik, M Jain Physical review letters 121 (26), 266401, 2018 | 434 | 2018 |
| Gap renormalization of molecular crystals from density-functional theory S Refaely-Abramson, S Sharifzadeh, M Jain, R Baer, JB Neaton, L Kronik Physical Review B—Condensed Matter and Materials Physics 88 (8), 081204, 2013 | 307 | 2013 |
| PARSEC–the pseudopotential algorithm for real‐space electronic structure calculations: recent advances and novel applications to nano‐structures L Kronik, A Makmal, ML Tiago, MMG Alemany, M Jain, X Huang, Y Saad, ... physica status solidi (b) 243 (5), 1063-1079, 2006 | 307 | 2006 |
| Electronic structure and spin polarization of Mn x Ga 1− x N L Kronik, M Jain, JR Chelikowsky Physical Review B 66 (4), 041203, 2002 | 259 | 2002 |
| Coulomb-hole summations and energies for calculations with limited number of empty orbitals: A modified static remainder approach J Deslippe, G Samsonidze, M Jain, ML Cohen, SG Louie Physical Review B—Condensed Matter and Materials Physics 87 (16), 165124, 2013 | 204 | 2013 |
| Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory S Refaely-Abramson, M Jain, S Sharifzadeh, JB Neaton, L Kronik Physical Review B 92, 081204(R), 2015 | 191 | 2015 |
| Reliability of hybrid functionals in predicting band gaps M Jain, JR Chelikowsky, SG Louie Physical review letters 107 (21), 216806, 2011 | 181 | 2011 |
| Hybridization and Bond-Orbital Components in Site-Specific X-Ray Photoelectron Spectra <?format ?>of Rutile JC Woicik, EJ Nelson, L Kronik, M Jain, JR Chelikowsky, D Heskett, ... Physical review letters 89 (7), 077401, 2002 | 162 | 2002 |
| Real-space pseudopotential method for computing the electronic properties of periodic systems MMG Alemany, M Jain, L Kronik, JR Chelikowsky Physical Review B 69 (7), 075101, 2004 | 121 | 2004 |
| Thermoelectric properties of Co substituted synthetic tetrahedrite R Chetty, A Bali, MH Naik, G Rogl, P Rogl, M Jain, S Suwas, RC Mallik Acta Materialia 100, 266-274, 2015 | 120 | 2015 |
| Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors M Jain, L Kronik, JR Chelikowsky, VV Godlevsky Physical Review B 64 (24), 245205, 2001 | 113 | 2001 |
| First-principles study of oxygen vacancies in rutile A Malashevich, M Jain, SG Louie Physical Review B 89 (7), 075205, 2014 | 99 | 2014 |
| Kolmogorov–Crespi potential for multilayer transition-metal dichalcogenides: capturing structural transformations in moiré superlattices MH Naik, I Maity, PK Maiti, M Jain The Journal of Physical Chemistry C 123 (15), 9770-9778, 2019 | 98 | 2019 |
| Origin and evolution of ultraflat bands in twisted bilayer transition metal dichalcogenides: Realization of triangular quantum dots MH Naik, S Kundu, I Maity, M Jain Physical Review B 102 (7), 075413, 2020 | 92 | 2020 |
| Elastic and viscoelastic effects in rubber/air acoustic band gap structures: A theoretical and experimental study B Merheb, PA Deymier, M Jain, M Aloshyna-Lesuffleur, S Mohanty, ... Journal of Applied Physics 104 (6), 2008 | 91 | 2008 |
| Mechanism for optical initialization of spin in NV center in diamond SK Choi, M Jain, SG Louie Physical Review B—Condensed Matter and Materials Physics 86 (4), 041202, 2012 | 88 | 2012 |
| Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MH Naik, M Jain Physical Review Materials 2 (8), 084002, 2018 | 84 | 2018 |
| Simple Approximate Physical Orbitals for Quasiparticle Calculations G Samsonidze, M Jain, J Deslippe, ML Cohen, SG Louie Physical Review Letters 107 (18), 186404, 2011 | 83 | 2011 |
| Ab initio structures and polarizabilities of sodium clusters L Kronik, I Vasiliev, M Jain, JR Chelikowsky The Journal of Chemical Physics 115 (9), 4322-4332, 2001 | 80 | 2001 |
James R. ChelikowskyW.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of TexasVerified email at utexas.edu