Sandeep Kumar Reddy
Affiliations: | 2018- | Indian Institute of Technology Kharagpur, Kharagpur, West Bengal, India |
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Parents
Sign in to add mentor| Sundaram Balasubramanian | grad student | 2008-2013 | Jawaharlal Nehru Centre for Advanced Scientific Research |
| Daniel Borgis | post-doc | 2014-2015 | ENS Paris |
| Rodolphe Vuilleumier | post-doc | 2014-2015 | ENS Paris |
| Francesco Paesani | post-doc | 2015-2018 | UCSD |
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Publications
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| Moberg DR, Li Q, Reddy SK, et al. (2019) Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy. The Journal of Chemical Physics. 150: 034701 |
| Reddy SK, Moberg DR, Straight SC, et al. (2017) Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function. The Journal of Chemical Physics. 147: 244504 |
| Adams EM, Wellen BA, Thiraux R, et al. (2017) Sodium-carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH. Physical Chemistry Chemical Physics : Pccp |
| Pham CH, Reddy SK, Chen K, et al. (2017) Many-Body Interactions in Ice. Journal of Chemical Theory and Computation |
| Reddy SK, Straight SC, Bajaj P, et al. (2016) On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. The Journal of Chemical Physics. 145: 194504 |
| Kanoo P, Haldar R, Reddy SK, et al. (2016) Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Haldar R, Reddy SK, Suresh VM, et al. (2014) Flexible and rigid amine-functionalized microporous frameworks based on different secondary building units: supramolecular isomerism, selective CO(2) capture, and catalysis. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4347-56 |
| Reddy SK, Balasubramanian S. (2014) Carbonic acid: molecule, crystal and aqueous solution. Chemical Communications (Cambridge, England). 50: 503-14 |
| Hazra A, Bonakala S, Reddy SK, et al. (2013) Effect of pillar modules and their stoichiometry in 3D porous frameworks of Zn(II) with [Fe(CN)6]3-: high CO2/N2 and CO2/CH4 selectivity. Inorganic Chemistry. 52: 11385-97 |
| Reddy SK, Balasubramanian S. (2012) Liquid dimethyl carbonate: a quantum chemical and molecular dynamics study. The Journal of Physical Chemistry. B. 116: 14892-902 |