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
Reddy, Sandeep K, Straight, Shelby C, Bajaj, Pushp, Huy Pham, C, Riera, Marc, Moberg, Daniel R, Morales, Miguel A, Knight, Chris, Götz, Andreas W, Paesani, Francesco
Published in The Journal of chemical physics (21.11.2016)
Published in The Journal of chemical physics (21.11.2016)
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Journal Article
Turbulent Kinematic Dynamos in Ellipsoids Driven by Mechanical Forcing
Reddy, K. Sandeep, Favier, Benjamin, Le Bars, Michael
Published in Geophysical research letters (28.02.2018)
Published in Geophysical research letters (28.02.2018)
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Journal Article
Flexible and Rigid Amine-Functionalized Microporous Frameworks Based on Different Secondary Building Units: Supramolecular Isomerism, Selective CO2 Capture, and Catalysis
Haldar, Ritesh, Reddy, Sandeep K., Suresh, Venkata M., Mohapatra, Sudip, Balasubramanian, Sundaram, Maji , Tapas Kumar
Published in Chemistry : a European journal (07.04.2014)
Published in Chemistry : a European journal (07.04.2014)
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Journal Article
Noncovalent synthesis of homo and hetero-architectures of supramolecular polymers via secondary nucleation
Kotha, Srinu, Sahu, Rahul, Yadav, Aditya Chandrakant, Sharma, Preeti, Kumar, B V V S Pavan, Reddy, Sandeep K, Rao, Kotagiri Venkata
Published in Nature communications (30.04.2024)
Published in Nature communications (30.04.2024)
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Journal Article
Water structure at the interface of alcohol monolayers as determined by molecular dynamics simulations and computational vibrational sum-frequency generation spectroscopy
Moberg, Daniel R, Li, Qin, Reddy, Sandeep K, Paesani, Francesco
Published in The Journal of chemical physics (21.01.2019)
Published in The Journal of chemical physics (21.01.2019)
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Journal Article
Liquid Dimethyl Carbonate: A Quantum Chemical and Molecular Dynamics Study
Reddy, Sandeep K, Balasubramanian, Sundaram
Published in The journal of physical chemistry. B (27.12.2012)
Published in The journal of physical chemistry. B (27.12.2012)
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Journal Article
Crystal Dynamics in Multi-stimuli-Responsive Entangled Metal-Organic Frameworks
Kanoo, Prakash, Haldar, Ritesh, Reddy, Sandeep K., Hazra, Arpan, Bonakala, Satyanarayana, Matsuda, Ryotaro, Kitagawa, Susumu, Balasubramanian, Sundaram, Maji, Tapas Kumar
Published in Chemistry : a European journal (24.10.2016)
Published in Chemistry : a European journal (24.10.2016)
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Journal Article
Sodium-carboxylate contact ion pair formation induces stabilization of palmitic acid monolayers at high pH
Adams, Ellen M, Wellen, Bethany A, Thiraux, Raphael, Reddy, Sandeep K, Vidalis, Andrew S, Paesani, Francesco, Allen, Heather C
Published in Physical chemistry chemical physics : PCCP (2017)
Published in Physical chemistry chemical physics : PCCP (2017)
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Journal Article
Benchmarking and scaling studies of pseudospectral code Tarang for turbulence simulations
VERMA, MAHENDRA K, CHATTERJEE, ANANDO, REDDY, K SANDEEP, YADAV, RAKESH K, PAUL, SUPRIYO, CHANDRA, MANI, SAMTANEY, RAVI
Published in Pramāṇa (01.10.2013)
Published in Pramāṇa (01.10.2013)
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Journal Article
Prediction and Comparison of Rainfall-Runoff Using Mathematical Model
D L Prasanna, S V S N, Sandeep Reddy, K, Chandrasekhar, Sai Shivani, S, Divya, E
Published in IOP conference series. Earth and environmental science (01.01.2023)
Published in IOP conference series. Earth and environmental science (01.01.2023)
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Journal Article
Identification of potential therapeutic targets by molecular profiling of 628 cases of uterine serous carcinoma
Jones, Nathaniel L, Xiu, Joanne, Reddy, Sandeep K, Burke, William M, Tergas, Ana I, Wright, Jason D, Hou, June Y
Published in Gynecologic oncology (01.09.2015)
Published in Gynecologic oncology (01.09.2015)
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Journal Article
GBM-associated mutations and altered protein expression are more common in young patients
Ferguson, Sherise D, Xiu, Joanne, Weathers, Shiao-Pei, Zhou, Shouhao, Kesari, Santosh, Weiss, Stephanie E, Verhaak, Roeland G, Hohl, Raymond J, Barger, Geoffrey R, Reddy, Sandeep K, Heimberger, Amy B
Published in Oncotarget (25.10.2016)
Published in Oncotarget (25.10.2016)
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Journal Article
Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function
Reddy, Sandeep K, Moberg, Daniel R, Straight, Shelby C, Paesani, Francesco
Published in The Journal of chemical physics (28.12.2017)
Published in The Journal of chemical physics (28.12.2017)
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Journal Article
Constructing one-dimensional supramolecular polymer structures using particle swarm optimization technique
Ghosh, Arunima, Sahu, Rahul, Reddy, Sandeep K.
Published in Theoretical chemistry accounts (01.03.2024)
Published in Theoretical chemistry accounts (01.03.2024)
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Journal Article
Many-Body Interactions in Ice
Pham, C. Huy, Reddy, Sandeep K, Chen, Karl, Knight, Chris, Paesani, Francesco
Published in Journal of chemical theory and computation (11.04.2017)
Published in Journal of chemical theory and computation (11.04.2017)
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Journal Article
Carbonic acid: molecule, crystal and aqueous solution
Reddy, Sandeep K, Balasubramanian, Sundaram
Published in Chemical communications (Cambridge, England) (18.01.2014)
Published in Chemical communications (Cambridge, England) (18.01.2014)
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Journal Article
Supramolecular Depolymerization in the Mixture of Two Poor Solvents: Mechanistic Insights and Modulation of Supramolecular Polymerization of Ionic π‐Systems
Kotha, Srinu, Mabesoone, Mathijs F. J., Srideep, Dasari, Sahu, Rahul, Reddy, Sandeep K., Rao, Kotagiri Venkata
Published in Angewandte Chemie International Edition (01.03.2021)
Published in Angewandte Chemie International Edition (01.03.2021)
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Journal Article
Pathway Selection in Temporal Evolution of Supramolecular Polymers of Ionic π‐Systems: Amphiphilic Organic Solvent Dictates the Fate of Water
Kotha, Srinu, Sahu, Rahul, Chandrakant Yadav, Aditya, Bejagam, Karteek K., Reddy, Sandeep K., Venkata Rao, Kotagiri
Published in Chemistry : a European journal (25.06.2024)
Published in Chemistry : a European journal (25.06.2024)
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Journal Article