Teacher Details
Bhalchandra Shrikant Pujari
Centre for Modeling and Simulation
bspujari@gmail.com
Research Areas : Computational materials science, Consended matter physics
Google Scholar Profile | ResearchGate Profile | Scopus Author View
| 1) | Saraf, D., Prakash, S., Pinjari, A., Pujari, B., Sengupta, D. (2023). Surface-induced demixing of self-assembled isomeric mixtures of citral. Journal of Molecular Liquids,
381, 121803.
ISSN(print/online): 0167-7322/1873-3166,
URL/DOI: http://dx.doi.org/10.1016/j.molliq.2023.121803
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| 2) | Shah, V., Kshirsagar, B., Mandalia, R., Pujari, B., Premkumar, S. (2023). Exploring the Tunability of Lead Free Ba 0.5 Sn 0.5 Tio 3 to Mimic Pbtio 3. Materials Chemistry and Physics,
309, 128371.
ISSN(print/online): 0254-0584/1879-3312,
URL/DOI: http://dx.doi.org/10.1016/j.matchemphys.2023.128371
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| 3) | Imam, S., Bayikadi, K.S., Ubaid, M., Ranganayakulu, V.K., Devi, S., Pujari, B.S., Chen, Y.Y., Chen, L.C., Chen, K.H., Lin, F.L., Sankar, R. (2022). Achieving synergistic performance through highly compacted microcrystalline rods induced in Mo doped GeTe based compounds. Materials Today Physics,
22, 100571.
ISSN(print/online): 2542-5293,
URL/DOI: http://dx.doi.org/10.1016/j.mtphys.2021.100571
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| 4) | Waghadkar, Y., Shinde, M., Tripathi, N., Pujari, B., Bute, M., Tamboli, A., Suzuki, N., Fouad, H., Terashima, C., Choi, H., Rane, S. (2022). Transformation of ZnS microspheres to ZnO, their computational (DFT) validation and dye-sensitized solar cells application. AIP Advances,
12 (7), 075001.
ISSN(print/online): 2158-3226,
URL/DOI: http://dx.doi.org/10.1063/5.0098766
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| 5) | Hazra, D.K., Pujari, B.S., Shekatkar, S.M., Mozaffer, F., Sinha, S., Guttal, V., Chaudhuri, P., Menon, G.I. (2022). Modelling the first wave of COVID-19 in India. PLoS Computational Biology,
18 (10), 1010632.
ISSN(print/online): 1553-7358/1553-734X,
URL/DOI: http://dx.doi.org/10.1371/journal.pcbi.1010632
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| 6) | Mave, V., Shaikh, A., Monteiro, J.M., Bogam, P., Pujari, B.S., Gupte, N. (2022). Association of national and regional lockdowns with COVID-19 infection rates in Pune, India. Scientific Reports,
12 (1), Google Scholar Citations,
ISSN(print/online): 2045-2322,
URL/DOI: http://dx.doi.org/10.1038/s41598-022-14674-0
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| 7) | Ubaid, M., Aziz, A., Pujari, B.S. (2021). Two-dimensional C3N/blue phosphorene vdW heterostructure for Li, Na and K-ion batteries. New Journal of Chemistry,
45 (28), 12647-12654.
ISSN(print/online): 1144-0546/1369-9261,
URL/DOI: http://dx.doi.org/10.1039/d1nj01594j
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| 8) | Natarajan, A.R., Ponvijayakanthan, L., Sharma, V.K., Pujari, B.S., Vaitheeswaran, G., Krishnan, K.V. (2021). Anisotropic transport and optical birefringence of triclinic bulk and monolayer NbX2Y2 (X = S, Se and Y = Cl, Br, I). Journal of Physics Condensed Matter,
33 (48), 485501.
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/1361-648X/ac2116
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| 9) | Jaykhedkar, N., Tripathy, N., Shah, V., Pujari, B., Premkumar, S. (2020). A comprehensive study of pressure dependent phase transitions in ferroelectric PbTiO3, PbZrO3 and BaTiO3. Materials Chemistry and Physics,
254, 123545.
ISSN(print/online): 0254-0584/1879-3312,
URL/DOI: http://dx.doi.org/10.1016/j.matchemphys.2020.123545
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| 10) | Ubaid, M., Aziz, A., Pujari, B.S. (2020). Indium doped phosphorene as a potential gas sensor: a study using density functional theory. Electronic Structure,
2, 035001.
ISSN(print/online): 2516-1075,
URL/DOI: http://dx.doi.org/10.1088/2516-1075/ab9e5a
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| 11) | Esteban-Puyuelo, R., Sonkar, R.K., Pujari, B., Grånäs, O., Sanyal, B. (2020). Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization. Physical Chemistry Chemical Physics,
22 (15), 8212-8218. Google Scholar Citations,
ISSN(print/online): 1463-9076/1463-9084,
URL/DOI: http://dx.doi.org/10.1039/C9CP06517B
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| 12) | Tayade, S.B., Illathvalappil, R., Lapalikar, V.A., Markad, D., Kurungot, S., Pujari, B., Kumbhar, A. (2019). A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity. Dalton Transactions,
48 (29), 11034-11044.
ISSN(print/online): 1477-9226/1477-9234,
URL/DOI: http://dx.doi.org/10.1039/c9dt01983a
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| 13) | Tayade, S.B., Dhavale, V.M., Kumbhar, A.S., Kurungot, S., Lönnecke, P., Hey-Hawkins, E., Pujari, B. (2017). Proton conduction in a hydrogen-bonded complex of copper(II)-bipyridine glycoluril nitrate. Dalton Transactions,
46 (21), 6968-6974.
ISSN(print/online): 1477-9226/1477-9234,
URL/DOI: http://dx.doi.org/10.1039/c7dt00425g
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| 14) | Belashchenko, K.D., Weerasinghe, J., Mu, S., Pujari, B.S. (2015). Spectral signatures of thermal spin disorder and excess Mn in half-metallic NiMnSb. Physical Review B,
91 (18), 180408. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.91.180408
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| 15) | Pujari, B.S., Larson, P., Antropov, V.P., Belashchenko, K.D. (2015). Ab Initio Construction of Magnetic Phase Diagrams in Alloys: The Case of Fe1−xMnxPt. Physical Review Letters,
115 (5), 057203. Google Scholar Citations,
ISSN(print/online): 0031-9007/1079-7114,
URL/DOI: http://dx.doi.org/10.1103/PhysRevLett.115.057203
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| 16) | Glasbrenner, J.K., Pujari, B.S., Belashchenko, K.D. (2014). Deviations from Matthiessen's rule and resistivity saturation effects in Gd and Fe from first principles. Physical Review B,
89 (17), 174408. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.89.174408
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| 17) | Haldar, S., Pujari, B.S., Bhandary, S., Cossu, F., Eriksson, O., Kanhere, D.G., Sanyal, B. (2014). Fe n (n= 1–6) clusters chemisorbed on vacancy defects in graphene: Stability, spin-dipole moment, and magnetic anisotropy. Physical Review B,
89 (20), 205411. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.89.205411
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| 18) | Gusarov, S., Pujari, B.S., Kovalenko, A. (2012). Efficient treatment of solvation shells in 3D molecular theory of solvation. Journal of Computational Chemistry,
33 (17), 1478-1494. Google Scholar Citations,
ISSN(print/online): 0192-8651/1096-987X,
URL/DOI: http://dx.doi.org/10.1002/jcc.22974
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| 19) | Pujari, B.S., Tokarev, A., Saraf, D.A. (2012). Theoretical investigation of planar square carbon allotrope and its hydrogenation. Journal of Physics Condensed Matter,
24 (17), 175501. Google Scholar Citations,
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/0953-8984/24/17/175501
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| 20) | Tokarev, A., Pujari, B.S. (2012). Stability of quasi-two dimensional zigzag carbon and its reaction pathway to graphene. Materials Science,
1208-1235,
ISSN(print/online): 1068-820X/1573-885X,
URL/DOI: http://dx.doi.org/10.48550/arXiv.1208.1235
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| 21) | Pujari, B.S., Gusarov, S., Brett, M., Kovalenko, A. (2011). Density Functional Investigation of Charge Transfer in Organic Solar Cells. ECS Transactions,
41 (4), 129-134.
ISSN(print/online): 1938-6737/1938-5862,
URL/DOI: http://dx.doi.org/10.1149/1.3628617
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| 22) | Pujari, B.S., Gusarov, S., Brett, M., Kovalenko, A. (2011). Single-side-hydrogenated graphene: Density functional theory predictions. Physical Review B,
84 (4), 041402. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.84.041402
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Publications Before 2011 |
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| 23) | Chandrachud, P., Pujari, B.S., Haldar, S., Sanyal, B., Kanhere, D.G. (2010). A systematic study of electronic structure from graphene to graphane. Journal of Physics Condensed Matter,
22 (46), 465502. Google Scholar Citations,
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/0953-8984/22/46/465502
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| 24) | Pujari, B.S., Kanhere, D.G. (2009). Density functional investigations of defect-induced mid-gap states in graphane. Journal of Physical Chemistry C,
113 (50), 21063-21067. Google Scholar Citations,
ISSN(print/online): 1932-7447/1932-7455,
URL/DOI: http://dx.doi.org/10.1021/jp907640t
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| 25) | Pujari, B.S. (2009). Exploiting Grids for Applications in Condensed Matter Physics. ICTP Lecture Notes Series,
24, 187.
URL/DOI: https://arxiv.org/pdf/1002.2321v1.pdf
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| 26) | Pujari, B.S., Joshi, K., Kanhere, D.G., Blundell, S.A. (2008). Impurity effects on the electronic structure of square quantum dots: A full configuration-interaction study. Physical Review B,
78 (12), 125414. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.78.125414
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| 27) | Pujari, B., Joshi, K., Kanhere, D.G., Blundell, S.A. (2007). Electronic structure of many-electron square-well quantum dots with and without an attractive impurity: Spin-density-functional theory. Physical Review B,
76 (8), 85340. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.76.085340
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| 28) | Aravindh, A., Arkundato, A., Barman, S., Baroni, S., Bhargava, B.L., Chandrakumar, K.R.S., Chen, W., Cherian, R., Corso, A.D., Datta, S., de Gironcoli, S., Dhayal, S.S., Dixit, A.K., Dutta, S., D'yachkov, P., Floare, C.G., Ganguli, N., Ganguly, S., Gebauer, R., Ghosh, S., Giannozzi, P., Govind, Hatt, A.J., Hembram, K.P.S.S., Imam, M., Jayalakshmi, V., Jayanthi, C.S., Kelkar, T., Anil Kumar, Lee, J.H., Lee, M.-S., Lonappan, D., Mahadevan, P., Mallajosyula, S.S., Marathe, M., Marzari, N., Melot, B., Miller, N., Morrone, J., Nanavati, S., Nanayakkara, A., Nandi, P.K., Narasimhan, S., Natarajan, B., Parvin, F., Paul, S., Pradhan, K., Praveena, G., Prasad, D.L.V.K., Poswal, H.K., Pujari, B., Pushpa, R., Reddy, K.H.K., Saha, S.K., Sbraccia, C., Scandolo, S., Seal, P., Shafai, G.S., Shanavas, K.V., Simrall, J.O.H., Srirangarajan, A., Srivastava, V., Talati, M.K., Tantirungrotechai, Y., Tarafder, K., Thomas, T., Uthayathasan, T. (2007). Si x C 1− x O 2 alloys: A possible route to stabilize carbon-based silica-like solids?. Solid State Communications,
144 (7), 273-276. Google Scholar Citations,
ISSN(print/online): 0038-1098/1879-2766,
URL/DOI: http://dx.doi.org/10.1016/j.ssc.2007.09.011
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| 29) | Heidari, I., Pal, S., Pujari, B.S., Kanhere, D.G. (2007). Electronic structure of spherical quantum dots using coupled cluster method. Journal of Chemical Physics,
127 (11), 114708. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.2768523
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| 30) | Subramanian, P., Pujari, B.S., Becker, P.A. (2004). Angular momentum transport in quasi-Keplerian accretion disks. Journal of Astrophysics and Astronomy,
25 (1-2), 81-91. Google Scholar Citations,
ISSN(print/online): 0250-6335/0973-7758,
URL/DOI: http://dx.doi.org/10.1007/BF02702290
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