Manish Jain, Ph.D. - Publications

Affiliations: 
University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
numerical simulation and high-performance computing to better understand continuum transport and reaction in the processing of advanced materials

33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Kundu S, Naik MH, Jain M. Native point defects in mono and bilayer phosphorene Physical Review Materials. 4: 54004. DOI: 10.1103/Physrevmaterials.4.054004  0.336
2019 Biswas T, Jain M. Excitonic properties of F-centers in $\alpha$-alumina from First Principles Calculation Physical Review B. 99. DOI: 10.1103/Physrevb.99.144102  0.331
2018 Naik MH, Jain M. Ultraflatbands and Shear Solitons in Moiré Patterns of Twisted Bilayer Transition Metal Dichalcogenides. Physical Review Letters. 121: 266401. PMID 30636141 DOI: 10.1103/Physrevlett.121.266401  0.323
2018 Naik MH, Jain M. Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS2 Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.084002  0.322
2018 Tippireddy S, Chetty R, Naik MH, Jain M, Chattopadhyay K, Mallik RC. Electronic and Thermoelectric Properties of Transition Metal Substituted Tetrahedrites Journal of Physical Chemistry C. 122: 8735-8749. DOI: 10.1021/Acs.Jpcc.7B12214  0.339
2018 Kundu S, Bhattacharjee S, Lee S, Jain M. PASTA: Python Algorithms for Searching Transition stAtes Computer Physics Communications. 233: 261-268. DOI: 10.1016/J.Cpc.2018.06.026  0.307
2017 Zhao J, Thakurathi M, Jain M, Sen D, Jain JK. Density-Functional Theory of the Fractional Quantum Hall Effect. Physical Review Letters. 118: 196802. PMID 28548518 DOI: 10.1103/Physrevlett.118.196802  0.319
2017 Naik MH, Jain M. Origin of layer dependence in band structures of two-dimensional materials Physical Review B. 95: 165125. DOI: 10.1103/Physrevb.95.165125  0.337
2017 Gabay D, Wang X, Lomakin V, Boag A, Jain M, Natan A. Size dependent electronic properties of silicon quantum dots—An analysis with hybrid, screened hybrid and local density functional theory Computer Physics Communications. 221: 95-101. DOI: 10.1016/J.Cpc.2017.08.005  0.322
2016 Dasari N, Yamijala SRKCS, Jain M, Dasgupta TS, Moreno J, Jarrell M, Vidhyadhiraja NS. First-principles investigation of cubicBaRuO3: A Hund's metal Physical Review B. 94. DOI: 10.1103/Physrevb.94.085143  0.343
2015 Kuiri M, Kumar C, Chakraborty B, Gupta SN, Naik MH, Jain M, Sood AK, Das A. Probing 2D black phosphorus by quantum capacitance measurements. Nanotechnology. 26: 485704. PMID 26559656 DOI: 10.1088/0957-4484/26/48/485704  0.307
2015 Samanta A, Jain M, Singh AK. Ultra-sensitive pressure dependence of bandgap of rutile-GeO2 revealed by many body perturbation theory. The Journal of Chemical Physics. 143: 064703. PMID 26277152 DOI: 10.1063/1.4928526  0.34
2015 Refaely-Abramson S, Jain M, Sharifzadeh S, Neaton JB, Kronik L. Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.081204  0.351
2014 Jain M, Deslippe J, Samsonidze G, Cohen ML, Chelikowsky JR, Louie SG. Improved quasiparticle wave functions and mean field for G0W0 calculations: Initialization with the COHSEX operator Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.115148  0.329
2014 Malashevich A, Jain M, Louie SG. First-principles DFT + G W study of oxygen vacancies in rutile TiO 2 Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.075205  0.308
2013 Deslippe J, Samsonidze G, Jain M, Cohen ML, Louie SG. Coulomb-hole summations and energies for GW calculations with limited number of empty orbitals: A modified static remainder approach Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.165124  0.323
2012 Lischner J, Deslippe J, Jain M, Louie SG. First-principles calculations of quasiparticle excitations of open-shell condensed matter systems. Physical Review Letters. 109: 036406. PMID 22861880 DOI: 10.1103/Physrevlett.109.036406  0.325
2012 Choi S, Jain M, Louie SG. Mechanism for optical initialization of spin in NV - center in diamond Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.041202  0.31
2012 Deslippe J, Samsonidze G, Strubbe DA, Jain M, Cohen ML, Louie SG. BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures Computer Physics Communications. 183: 1269-1289. DOI: 10.1016/J.Cpc.2011.12.006  0.312
2011 Jain M, Chelikowsky JR, Louie SG. Reliability of hybrid functionals in predicting band gaps. Physical Review Letters. 107: 216806. PMID 22181911 DOI: 10.1103/Physrevlett.107.216806  0.308
2011 Jain M, Chelikowsky JR, Louie SG. Quasiparticle excitations and charge transition levels of oxygen vacancies in hafnia. Physical Review Letters. 107: 216803. PMID 22181908 DOI: 10.1103/Physrevlett.107.216803  0.314
2011 Samsonidze G, Jain M, Deslippe J, Cohen ML, Louie SG. Simple approximate physical orbitals for GW quasiparticle calculations. Physical Review Letters. 107: 186404. PMID 22107653 DOI: 10.1103/Physrevlett.107.186404  0.341
2010 Lopez Del Puerto M, Jain M, Chelikowsky JR. Time-dependent density functional theory calculations for the Stokes shift in hydrogenated silicon clusters Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.035309  0.336
2008 Merheb B, Deymier P, Jain M, Aloshyna‐Lesuffleur M, Greger R, Mohanty S, Berker A. Rubber/air acoustic band gap materials: Elastic and viscoelastic effects The Journal of the Acoustical Society of America. 123: 3038-3038. DOI: 10.1121/1.2932708  0.31
2007 Alemany MMG, Jain M, Tiago ML, Zhou Y, Saad Y, Chelikowsky JR. Efficient first-principles calculations of the electronic structure of periodic systems Computer Physics Communications. 177: 339-347. DOI: 10.1016/J.Cpc.2007.04.003  0.321
2003 Russell Burdick W, Saad Y, Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Parallel implementation of time-dependent density functional theory Computer Physics Communications. 156: 22-42. DOI: 10.1016/S0010-4655(03)00413-2  0.304
2002 Kronik L, Jain M, Chelikowsky JR. Electronic structure and spin polarization ofMnxGa1−xN Physical Review B. 66. DOI: 10.1103/Physrevb.66.041203  0.315
2002 Jain M, Godlevsky VV, Derby JJ, Chelikowsky JR. First-principles simulations of liquid ZnTe Physical Review B - Condensed Matter and Materials Physics. 65: 352121-352127. DOI: 10.1103/Physrevb.65.035212  0.531
2001 Jain M, Kronik L, Chelikowsky J, Godlevsky V. Electronic structure and spin polarization of Mn-containing dilute magnetic III-V semiconductors Physical Review B. 64. DOI: 10.1103/Physrevb.64.245205  0.325
2001 Woicik JC, Nelson EJ, Kendelewicz T, Pianetta P, Jain M, Kronik L, Chelikowsky JR. Partial density of occupied valence states by x-ray standing waves and high-resolution photoelectron spectroscopy Physical Review B - Condensed Matter and Materials Physics. 63: 414031-414034. DOI: 10.1103/Physrevb.63.041403  0.307
2001 Chelikowsky JR, Derby JJ, Godlevsky VV, Jain M, Raty JY. Ab initio simulations of liquid semiconductors using the pseudopotential-density functional method Journal of Physics Condensed Matter. 13: R817-R854. DOI: 10.1088/0953-8984/13/41/201  0.538
2001 Kronik L, Vasiliev I, Jain M, Chelikowsky JR. Ab initio structures and polarizabilities of sodium clusters Journal of Chemical Physics. 115: 4322-4332. DOI: 10.1063/1.1390524  0.306
1999 Godlevsky VV, Jain M, Derby JJ, Chelikowsky JR. First-principles calculations of liquid CdTe at temperatures above and below the melting point Physical Review B - Condensed Matter and Materials Physics. 60: 8640-8649. DOI: 10.1103/Physrevb.60.8640  0.544
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