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Santanu Chaudhuri, Ph.D. - Publications

Affiliations: 
2017- Materials Engineering University of Illinois at Chicago, Chicago, IL, United States 
Area:
Computational Materials Science and Engineering
Website:
https://amrl.uic.edu/
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30 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
2019 Zhang D, Chaudhuri S. Solidification dynamics and microstructure evolution in nanocrystalline cobalt Computational Materials Science. 160: 222-232. DOI: 10.1016/J.Commatsci.2018.10.008  0.307
2018 Joshi K, Chaudhuri S. Hot Spot Interaction with Hydroxyl-Terminated Polybutadiene Binder in Energetic Composites Journal of Physical Chemistry C. 122: 14434-14446. DOI: 10.1021/Acs.Jpcc.7B11155  0.305
2017 Sumer A, Chaudhuri S. A First Principles Investigation of Corrosion Chemistry of Common Elemental Impurities in Mg-Al Alloys Corrosion. 73: 596-604. DOI: 10.5006/2392  0.323
2017 Bhutani A, Schiller JA, Zuo JL, Eckstein JN, Greene LH, Chaudhuri S, Shoemaker DP. Combined Computational and in Situ Experimental Search for Phases in an Open Ternary system, Ba–Ru–S Chemistry of Materials. 29: 5841-5849. DOI: 10.1021/Acs.Chemmater.7B00809  0.319
2017 Joshi K, Chaudhuri S. Observation of deflagration wave in energetic materials using reactive molecular dynamics Combustion and Flame. 184: 20-29. DOI: 10.1016/J.Combustflame.2017.05.009  0.319
2016 Lee K, Joshi K, Chaudhuri S, Stewart DS. Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX. The Journal of Chemical Physics. 144: 184111. PMID 27179475 DOI: 10.1063/1.4948548  0.305
2016 Joshi KL, Losada M, Chaudhuri S. Intermolecular Energy Transfer Dynamics at a Hot Spot Interface in RDX Crystals. The Journal of Physical Chemistry. A. PMID 26741283 DOI: 10.1021/Acs.Jpca.5B06359  0.326
2016 Joshi K, Chaudhuri S. Empirical force field-based kinetic Monte Carlo simulation of precipitate evolution and growth in Al-Cu alloys Modelling and Simulation in Materials Science and Engineering. 24: 75012. DOI: 10.1088/0965-0393/24/7/075012  0.319
2015 Joshi KL, Chaudhuri S. Reactive simulation of the chemistry behind the condensed-phase ignition of RDX from hot spots. Physical Chemistry Chemical Physics : Pccp. 17: 18790-801. PMID 26123323 DOI: 10.1039/C5Cp00950B  0.326
2013 Farley CW, Pantoya ML, Losada M, Chaudhuri S. Linking molecular level chemistry to macroscopic combustion behavior for nano-energetic materials with halogen containing oxides. The Journal of Chemical Physics. 139: 074701. PMID 23968101 DOI: 10.1063/1.4818167  0.34
2011 Chopra IS, Chaudhuri S, Veyan JF, Chabal YJ. Turning aluminium into a noble-metal-like catalyst for low-temperature activation of molecular hydrogen. Nature Materials. 10: 884-9. PMID 21946610 DOI: 10.1038/Nmat3123  0.324
2011 Chopra IS, Chaudhuri S, Veyan JF, Graetz J, Chabal YJ. Effect of titanium doping of Al(111) surfaces on alane formation, mobility, and desorption Journal of Physical Chemistry C. 115: 16701-16710. DOI: 10.1021/Jp203842R  0.359
2010 Losada M, Chaudhuri S. Finite size effects on aluminum/Teflon reaction channels under combustive environment: a Rice-Ramsperger-Kassel-Marcus and transition state theory study of fluorination. The Journal of Chemical Physics. 133: 134305. PMID 20942537 DOI: 10.1063/1.3480020  0.32
2010 Ojwang JG, Chaudhuri S, van Duin AC, Chabal YJ, Veyan JF, van Santen R, Kramer GJ, Goddard WA. Multiscale modeling of interaction of alane clusters on Al(111) surfaces: a reactive force field and infrared absorption spectroscopy approach. The Journal of Chemical Physics. 132: 084509. PMID 20192309 DOI: 10.1063/1.3302813  0.368
2010 Kwak H, Chaudhuri S. Role of vacancy and metal doping on combustive oxidation of Zr/ZrO 2 core-shell particles Surface Science. 604: 2116-2128. DOI: 10.1016/J.Susc.2010.09.002  0.309
2009 Graetz J, Chaudhuri S, Salguero TT, Vajo JJ, Meyer MS, Pinkerton FE. Local bonding and atomic environments in Ni-catalyzed complex hydrides Nanotechnology. 20. PMID 19420655 DOI: 10.1088/0957-4484/20/20/204007  0.314
2009 Losada M, Chaudhuri S. Theoretical study of elementary steps in the reactions between aluminum and teflon fragments under combustive environments. The Journal of Physical Chemistry. A. 113: 5933-41. PMID 19388662 DOI: 10.1021/Jp810156J  0.312
2008 Chaudhuri S, Rangan S, Veyan JF, Muckerman JT, Chabal YJ. Formation and bonding of alane clusters on Al(111) surfaces studied by infrared absorption spectroscopy and theoretical modeling. Journal of the American Chemical Society. 130: 10576-87. PMID 18636724 DOI: 10.1021/Ja800136K  0.333
2007 Chaudhuri S, Muckerman JT. Catalytic activity of Ti-doped NaH nanoclusters towards hydrogenation of terminal alkenes Molecular Simulation. 33: 925-930. DOI: 10.1080/08927020701474422  0.301
2007 Graetz J, Chaudhuri S, Wegrzyn J, Celebi Y, Johnson JR, Zhou W, Reilly JJ. Direct and reversible synthesis of AlH3-triethylenediamine from Al and H2 Journal of Physical Chemistry C. 111: 19148-19152. DOI: 10.1021/Jp076804J  0.325
2006 Chaudhuri S, Chupas P, Morgan BJ, Madden PA, Grey CP. An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of alpha-AlF3 nanoparticles. Physical Chemistry Chemical Physics : Pccp. 8: 5045-55. PMID 17091155 DOI: 10.1039/B604750E  0.61
2006 Chaudhuri S, Graetz J, Ignatov A, Reilly JJ, Muckerman JT. Understanding the role of Ti in reversible hydrogen storage as sodium alanate: a combined experimental and density functional theoretical approach. Journal of the American Chemical Society. 128: 11404-15. PMID 16939263 DOI: 10.1021/Ja060437S  0.387
2006 Graetz J, Chaudhuri S, Lee Y, Vogt T, Muckerman JT, Reilly JJ. Pressure-induced structural and electronic changes in α-Al H3 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.214114  0.302
2006 Allen PB, Chen YR, Chaudhuri S, Grey CP. Octahedral tilt instability of ReO3 -type crystals Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.172102  0.451
2005 Chaudhuri S, Muckerman JT. First-principles study of Ti-catalyzed hydrogen chemisorption on an Al surface: a critical first step for reversible hydrogen storage in NaAlH4. The Journal of Physical Chemistry. B. 109: 6952-7. PMID 16851788 DOI: 10.1021/Jp050558Z  0.329
2005 Kotecha M, Chaudhuri S, Grey CP, Frydman L. Dynamic effects in MAS and MQMAS NMR spectra of half-integer quadrupolar nuclei: calculations and an application to the double perovskite cryolite. Journal of the American Chemical Society. 127: 16701-12. PMID 16305261 DOI: 10.1021/Ja0549749  0.468
2004 Chupas PJ, Chaudhuri S, Hanson JC, Qiu X, Lee PL, Shastri SD, Billinge SJ, Grey CP. Probing local and long-range structure simultaneously: an in situ study of the high-temperature phase transition of alpha-AlF3. Journal of the American Chemical Society. 126: 4756-7. PMID 15080661 DOI: 10.1021/Ja031553N  0.591
2004 Chaudhuri S, Chupas PJ, Wilson M, Madden P, Grey CP. Study of the nature and mechanism of the rhombohedral-to-cubic phase transition in α-AlF3 with molecular dynamics simulations Journal of Physical Chemistry B. 108: 3437-3445. DOI: 10.1021/Jp034533G  0.58
2002 Chaudhuri S, Wang F, Grey CP. Resolving the different dynamics of the fluorine sublattices in the anionic conductor BaSnF(4) by using high-resolution MAS NMR techniques. Journal of the American Chemical Society. 124: 11746-57. PMID 12296742 DOI: 10.1021/Ja026155J  0.449
1999 Chaudhuri S, Bagwell PF, McInturff D, Chang JCP, Paak S, Melloch MR, Woodall JM, Pekarek TM, Crooker BC. Is the ‘Finite Bias Anomaly’ in planar GaAs-superconductor junctions caused by point-contact-like structures? Superlattices and Microstructures. 25: 745-755. DOI: 10.1006/Spmi.1999.0758  0.31
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