Department Details
Centre for Modeling and Simulation
| 1) | Pujari, B.S., Gehlot, S., Arjunwadkar, M., Kanhere, D.G., Duraiswami, R. (2024). On the relative abundances of Cavansite and Pentagonite. Physica Scripta,
ISSN(print/online): 0031-8949/1402-4896,
URL/DOI: http://dx.doi.org/10.1088/1402-4896/ad3e3a
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| 2) | Amritkar, M., Patil, A., Barve, S., Gosavi, S. (2024). Simulation study on the effect of hydro-active patches in passive micromixer geometry for fluid flow and mixing. Pramana: Journal of Physics,
98 (1), 15.
ISSN(print/online): 0304-4289/0973-7111,
URL/DOI: http://dx.doi.org/10.1007/s12043-023-02680-4
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| 3) | Lodato, I., Shekatkar, S.M., Wong, T.A. (2023). On partial information retrieval: the unconstrained 100 prisoner problem. Acta Informatica,
60, 179–208.
ISSN(print/online): 0001-5903/1432-0525,
URL/DOI: http://dx.doi.org/10.1007/s00236-022-00436-y
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| 4) | 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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| 5) | 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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| 6) | Rana, A.S., Barve, S. (2023). A second-order constitutive theory for polyatomic gases: theory and applications. Journal of Fluid Mechanics,
958, A23.
ISSN(print/online): 0022-1120/1469-7645,
URL/DOI: http://dx.doi.org/10.1017/jfm.2023.86
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| 7) | Agrawal, H., Lahorkar, A., Shekatkar, S.M. (2022). Effect of money heterogeneity on resource dependency in complex networks. Europhysics Letters,
139 (5), 51003.
ISSN(print/online): 0295-5075/1286-4854,
URL/DOI: http://dx.doi.org/10.1209/0295-5075/ac882a
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| 8) | 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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| 9) | 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. WoS Citations: 1,
ISSN(print/online): 1553-7358/1553-734X,
URL/DOI: http://dx.doi.org/10.1371/journal.pcbi.1010632
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| 10) | 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. WoS Citations: 3,
ISSN(print/online): 2542-5293,
URL/DOI: http://dx.doi.org/10.1016/j.mtphys.2021.100571
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| 11) | 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: 9, WoS Citations: 5,
ISSN(print/online): 2045-2322,
URL/DOI: http://dx.doi.org/10.1038/s41598-022-14674-0
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| 12) | Sharma, T., Sharma, R., Kanhere, D. (2022). A DFT study of SenTen clusters. Nanoscale Advances,
4 (5), 1464-1482. WoS Citations: 1,
ISSN(print/online): 2516-0230,
URL/DOI: http://dx.doi.org/10.1039/D1NA00321F
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| 13) | Mandava, S., Bisht, N., Saini, A., Bairwa, M.K., Bayikadi, K., Katre, A., Sonnathi, N. (2022). Investigating the key role of carrier transport mechanism in SnSe nanoflakes with enhanced thermoelectric power factor. Nanotechnology,
33 (15), 155710.
ISSN(print/online): 0957-4484/1361-6528,
URL/DOI: http://dx.doi.org/10.1088/1361-6528/ac4665
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| 14) | 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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| 15) | 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. WoS Citations: 3,
ISSN(print/online): 1144-0546/1369-9261,
URL/DOI: http://dx.doi.org/10.1039/d1nj01594j
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| 16) | Shekatkar, S.M. (2020). Do zealots increase or decrease the polarization in social networks?. Journal of Complex Networks,
8 (4), cnz036. Google Scholar Citations: 2,
ISSN(print/online): 2051-1310/2051-1329,
URL/DOI: http://dx.doi.org/10.1093/comnet/cnz036
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| 17) | Ingale, M., Shekatkar, S.M. (2020). Resource dependency and survivability in complex networks. Physical Review E,
102 (6), 062304. Google Scholar Citations: 2, WoS Citations: 1,
ISSN(print/online): 2470-0045/2470-0053,
URL/DOI: http://dx.doi.org/10.1103/PhysRevE.102.062304
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| 18) | Mitra, D., Basu, R., Melikidze, G.I., Arjunwadkar, M. (2020). A single spark model for PSR J2144-3933. Monthly Notices of the Royal Astronomical Society,
492 (2), 2468-2480.
ISSN(print/online): 0035-8711/1365-2966,
URL/DOI: http://dx.doi.org/10.1093/mnras/stz3620
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| 19) | 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. WoS Citations: 5,
ISSN(print/online): 0254-0584/1879-3312,
URL/DOI: http://dx.doi.org/10.1016/j.matchemphys.2020.123545
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| 20) | 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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| 21) | Mishra, S.B., Yadav, S.K., Kanhere, D.G., Nanda, B.R.K. (2020). Fluorine intercalated graphene: Formation of a two-dimensional spin lattice through pseudoatomization. Physical Review Materials,
4 (7), 074411. WoS Citations: 4,
ISSN(print/online): 2475-9953,
URL/DOI: http://dx.doi.org/10.1103/PhysRevMaterials.4.074411
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| 22) | Gurunathan, R., Hanus, R., Dylla, M., Katre, A., Snyder, G.J. (2020). Analytical Models of Phonon–Point-Defect Scattering. Physical Review Applied,
13 (3), 034011. Google Scholar Citations: 42, WoS Citations: 31,
ISSN(print/online): 2331-7019/2331-7043,
URL/DOI: http://dx.doi.org/10.1103/PhysRevApplied.13.034011
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| 23) | Gupta, K., Kolwankar, K.M., Gore, B., Dharmadhikari, J.A., Dharmadhikari, A.K. (2020). Laser-driven Marangoni flow and vortex formation in a liquid droplet. Physics of Fluids,
32 (12), 121701. WoS Citations: 3,
ISSN(print/online): 1070-6631/1089-7666,
URL/DOI: http://dx.doi.org/10.1063/5.0025469
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| 24) | Humphries, P., Shekatkar, S.M., Wong, T.A. (2019). Biases in prime factorizations and Liouville functions for arithmetic progressions. Journal de Théorie des Nombres de Bordeaux,
31 (1), 1-25. Google Scholar Citations: 1,
ISSN(print/online): 1246-7405/2118-8572 .
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| 25) | 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. WoS Citations: 4,
ISSN(print/online): 1477-9226/1477-9234,
URL/DOI: http://dx.doi.org/10.1039/c9dt01983a
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| 26) | Sharma, T., Sharma, R., Tamboli, R.A., Kanhere, D.G. (2019). Ab initio investigation of structural and electronic properties of selenium and tellurium clusters. European Physical Journal B,
92 (3), 51. WoS Citations: 7,
ISSN(print/online): 1434-6028 /1434-6036,
URL/DOI: http://dx.doi.org/10.1140/epjb/e2019-90491-5
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| 27) | Lindsay, L., Katre, A., Cepellotti, A., Mingo, N. (2019). Perspective on ab initio phonon thermal transport. Journal of Applied Physics,
126 (5), 050902. Google Scholar Citations: 76, WoS Citations: 53,
ISSN(print/online): 0021-8979/1089-7550,
URL/DOI: http://dx.doi.org/10.1063/1.5108651
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| 28) | Xu, R.L., Muñoz Rojo, M., Islam, S.M., Sood, A., Vareskic, B., Katre, A., Mingo, N., Goodson, K.E., Xing, H.G., Jena, D., Pop, E (2019). Thermal conductivity of crystalline AlN and the influence of atomic-scale defects. Journal of Applied Physics,
126 (18), 185105. Google Scholar Citations: 59, WoS Citations: 44,
ISSN(print/online): 0021-8979/1089-7550,
URL/DOI: http://dx.doi.org/10.1063/1.5097172
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| 29) | Pious, J.K., Katre, A., Muthu, C., Chakraborty, S., Krishna, S., Vijayakumar, C. (2019). Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure. Chemistry of Materials,
31 (6), 1941-1945. Google Scholar Citations: 36, WoS Citations: 32,
ISSN(print/online): 0897-4756/1520-5002,
URL/DOI: http://dx.doi.org/10.1021/acs.chemmater.8b04642
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| 30) | Sharma, R., Oberoi, D., Arjunwadkar, M. (2018). Quantifying Weak Nonthermal Solar Radio Emission at Low Radio Frequencies. Astrophysical Journal,
852 (2), 69. WoS Citations: 17,
ISSN(print/online): 0004-637X/1538-4357,
URL/DOI: http://dx.doi.org/10.3847/1538-4357/aa9d96
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| 31) | Barve, S., Babrekar, H., Bhave, T., Bhoraskar, S.V. (2018). Segregation of nanoparticles by electrophoretic deposition technique: A mathematical model and its validation. Powder Technology,
329, 323-331. Google Scholar Citations: 3, WoS Citations: 1,
ISSN(print/online): 0032-5910/1873-328X,
URL/DOI: http://dx.doi.org/10.1016/j.powtec.2018.01.039
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| 32) | Shekatkar, S.M., Barve, S. (2018). Importance of initial conditions in the polarization of complex networks. Europhysics Letters,
122 (3), 38002. WoS Citations: 2,
ISSN(print/online): 0295-5075/1286-4854,
URL/DOI: http://dx.doi.org/10.1209/0295-5075/122/38002
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| 33) | 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. WoS Citations: 13,
ISSN(print/online): 1477-9226/1477-9234,
URL/DOI: http://dx.doi.org/10.1039/c7dt00425g
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| 34) | Saraf, D., Kumar, A., Kanhere, D., Kshirsagar, A. (2017). Size dependent tunnel diode effects in gold tipped CdSe nanodumbbells. Journal of Chemical Physics,
146 (5), 054703 .
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.4975102
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| 35) | Gore, B.W. (2017). On finding the shortest distance of a point from a line: Which method do you prefer?. Resonance,
22 (7), 705-714.
ISSN(print/online): 0971-8044/0973-712X,
URL/DOI: http://dx.doi.org/10.1007/s12045-017-0514-x
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| 36) | Arjunwadkar, M., Kashikar, A., Bagchi, M. (2016). Neutron Stars in the Light of Square Kilometre Array: Data, Statistics and Science. Journal of Astrophysics and Astronomy,
37 (4), 28. WoS Citations: 1,
ISSN(print/online): 0250-6335/0973-7758,
URL/DOI: http://dx.doi.org/10.1007/s12036-016-9410-0
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| 37) | Mitra, D., Rankin, J., Arjunwadkar, M. (2016). Core and conal component analysis of pulsar B1933+16: Investigation of the segregated modes. Monthly Notices of the Royal Astronomical Society,
460 (3), 3063-3075. Google Scholar Citations: 2, WoS Citations: 16,
ISSN(print/online): 0035-8711/1365-2966,
URL/DOI: http://dx.doi.org/10.1093/mnras/stw1186
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| 38) | Shekatkar, S.M., Ambika, G. (2015). Complex networks with scale-free nature and hierarchical modularity. European Physical Journal B,
88 (9), 227. Google Scholar Citations: 9, WoS Citations: 2,
ISSN(print/online): 1434-6028 /1434-6036,
URL/DOI: http://dx.doi.org/10.1140/epjb/e2015-60501-y
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| 39) | Shekatkar, S.M., Bhagwat, C., Ambika, G. (2015). Divisibility patterns of natural numbers on a complex network. Scientific Reports,
5 (1), 14280. Google Scholar Citations: 12, WoS Citations: 6,
ISSN(print/online): 2045-2322,
URL/DOI: http://dx.doi.org/10.1038/srep14280
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| 40) | Shekatkar, S.M., Ambika, G. (2015). Novel coupling scheme to control dynamics of coupled discrete systems. Communications in Nonlinear Science and Numerical Simulation,
25 (1-3), 50-65. Google Scholar Citations: 3, WoS Citations: 2,
ISSN(print/online): 1007-5704/1878-7274,
URL/DOI: http://dx.doi.org/10.1016/j.cnsns.2015.01.008
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| 41) | Fogarty, J.C., Arjunwadkar, M., Pandit, S.A., Pan, J. (2015). Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data. Biochimica et Biophysica Acta- Biomembranes,
1848 (2), 662-672. Google Scholar Citations: 2, WoS Citations: 29,
ISSN(print/online): 0005-2736/1879-2642,
URL/DOI: http://dx.doi.org/10.1016/j.bbamem.2014.10.041
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| 42) | Mitra, D., Arjunwadkar, M., Rankin, J.M. (2015). Polarized quasiperiodic structures in pulsar radio emission reflect temporal modulations of non-stationary plasma flow. Astrophysical Journal,
806 (2), 236. Google Scholar Citations: 1, WoS Citations: 15,
ISSN(print/online): 0004-637X/1538-4357,
URL/DOI: http://dx.doi.org/10.1088/0004-637X/806/2/236
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| 43) | Aghamousa, A., Shafieloo, A., Arjunwadkar, M., Souradeep, T. (2015). Unveiling acoustc physics of the CMB using nonparametric estimation of the temperature angular power spectrum for Planck. Journal of Cosmology and Astroparticle Physics,
2015 (2), 007. Google Scholar Citations: 2, WoS Citations: 5,
ISSN(print/online): 1475-7516,
URL/DOI: http://dx.doi.org/10.1088/1475-7516/2015/02/007
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| 44) | 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: 1, WoS Citations: 8,
ISSN(print/online): 0031-9007/1079-7114,
URL/DOI: http://dx.doi.org/10.1103/PhysRevLett.115.057203
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| 45) | 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: 1, WoS Citations: 6,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.91.180408
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| 46) | Dutta, P., Chengalur, J.N., Roy, N., Goss, W.M., Arjunwadkar, M., Minter, A.H., Brogan, C.L., Lazio, T.J.W. (2014). The structure function of Galactic H I opacity fluctuations on au scales based on MERLIN, VLA and VLBA data. Monthly Notices of the Royal Astronomical Society,
442 (1), 647-655. Google Scholar Citations: 2, WoS Citations: 9,
ISSN(print/online): 0035-8711/1365-2966,
URL/DOI: http://dx.doi.org/10.1093/mnras/stu881
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| 47) | Aghamousa, A., Arjunwadkar, M., Souradeep, T. (2014). Model-independent forecasts of CMB angular power spectra for the Planck mission. Physical Review D,
89 (2), 023509-023518. Google Scholar Citations: 2, WoS Citations: 3,
ISSN(print/online): 2470-0010/2470-0029,
URL/DOI: http://dx.doi.org/10.1103/PhysRevD.89.023509
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| 48) | Konar, S., Arjunwadkar, M. (2014). Glitch Statistics of Radio Pulsars : Multiple populations. Bulletin of the Astronomical Society of India,
1-2. Google Scholar Citations: 2,
ISSN(print/online): 0304-9523/2249-9601.
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| 49) | 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: 5, WoS Citations: 28,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.89.174408
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| 50) | 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: 7, WoS Citations: 16,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.89.205411
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| 51) | Narlikar, L., Mehta, N., Galande, S., Arjunwadkar, M. (2013). One size does not fit all: On how Markov model order dictates performance of genomic sequence analyses. Nucleic Acids Research,
41 (3), 1416-1424. Google Scholar Citations: 5, WoS Citations: 20,
ISSN(print/online): 0305-1048/1362-4962,
URL/DOI: http://dx.doi.org/10.1093/nar/gks1285
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| 52) | Satin, S., Lochan, K., Barve, S. (2013). Noise kernel for the self-similar Tolman-Bondi metric: Fluctuations on the Cauchy horizon. Physical Review D,
87 (8), 084067. Google Scholar Citations: 5, WoS Citations: 10,
ISSN(print/online): 2470-0010/2470-0029,
URL/DOI: http://dx.doi.org/10.1103/PhysRevD.87.084067
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| 53) | Aghamousa, A., Arjunwadkar, M., Souradeep, T. (2012). From Nonparametric Power Spectra to Inference About Cosmological Parameters: A Random Walk in the Cosmological Parameter Space. Cosmology and Nongalactic Astrophysics,
Google Scholar Citations: 2,
ISSN(print/online): 2565-6120,
URL/DOI: http://arxiv.org/pdf/1211.2585v2.pdf
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| 54) | Aghamousa, A., Arjunwadkar, M., Souradeep, T. (2012). Evolution of the Cosmic Microwave Background (CMB) Power Spectrum across Wilkinson Microwave Anisotropy Probe(WMAP) Data Releases: A Nonparametric Analysis. Astrophysical Journal,
745 (2), 114. Google Scholar Citations: 2, WoS Citations: 7,
ISSN(print/online): 0004-637X/1538-4357,
URL/DOI: http://dx.doi.org/10.1088/0004-637X/745/2/114
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| 55) | 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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| 56) | Jhingan, S., Dwivedi, I.H., Barve, S. (2011). Depletion of energy from naked singular regions during gravitational collapse. Physical Review D,
84 (2), 024001. Google Scholar Citations: 2, WoS Citations: 3,
ISSN(print/online): 2470-0010/2470-0029,
URL/DOI: http://dx.doi.org/10.1103/PhysRevD.84.024001
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Publications Before 2011 |
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| 57) | 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: 82, WoS Citations: 71,
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/0953-8984/22/46/465502
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| 58) | Kanhere, D.G., Arjunwadkar, M., Vichare, A.M. (2009). Rise and decline of India’s state university system: Neglect, design, or neglect by design. Current Science,
97 (7), 1013-1021. Google Scholar Citations: 7, WoS Citations: 4,
ISSN(print/online): 0011-3891,
URL/DOI: http://cms.unipune.ac.in/reports/pd-20081204/CMS-PD-20081204.pdf
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| 59) | 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: 42, WoS Citations: 37,
ISSN(print/online): 1932-7447/1932-7455,
URL/DOI: http://dx.doi.org/10.1021/jp907640t
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| 60) | 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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| 61) | 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: 12, WoS Citations: 14,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.78.125414
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| 62) | 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: 9, WoS Citations: 9,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.76.085340
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