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Sriram Goverapet Srinivasan

Observed names: Goverapet Srinivasan Sriram, S Goverapet Srinivasan, S. Goverapet Srinivasan, Srinivasan, Sriram Goverapet, Sriram G. Srinivasan
Observed institutions: Oak Ridge National Laboratory, Pennsylvania State University, Indian Institute of Technology Jodhpur, University of Calgary, Indian Institute of Technology Madras, Center for Nanophase Materials Sciences, Tata Consultancy Services (India)
ORCID: 0000-0003-3984-1547
Observed ORCID: 0000-0003-3984-1547
OpenAlex ID: A5040210003
Development of a ReaxFF Potential for Carbon Condensed Phases and Its Application to the Thermal Fragmentation of a Large Fullerene
2015 · Sriram Goverapet Srinivasan, Adri C. T. van Duin, et al. · The Journal of Physical Chemistry A · 338
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Molecular-Dynamics-Based Study of the Collisions of Hyperthermal Atomic Oxygen with Graphene Using the ReaxFF Reactive Force Field
2011 · Sriram Goverapet Srinivasan, Adri C. T. van Duin · The Journal of Physical Chemistry A · 123
Thermal properties of fluorinated graphene
2013 · Sandeep Kumar Singh, S. Goverapet Srinivasan, et al. · Physical Review B · 122
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Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential
2012 · Anant D. Kulkarni, Donald G. Truhlar, et al. · The Journal of Physical Chemistry C · 111
Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
2019 · Deepak Jain, Suryanaman Chaube, et al. · Physical Chemistry Chemical Physics · 105
Graphene to fluorographene and fluorographane: a theoretical study
2012 · R Paupitz, P A S Autreto, et al. · Nanotechnology · 82
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Lead-free, stable mixed halide double perovskites Cs2AgBiBr6 and Cs2AgBiBr6−xClx – A detailed theoretical and experimental study
2019 · Mrinmoy Kumar Chini, Sriram Goverapet Srinivasan, et al. · Chemical Physics · 81
Applied machine learning for predicting the lanthanide-ligand binding affinities
2020 · Suryanaman Chaube, Sriram Goverapet Srinivasan, et al. · Scientific Reports · 57
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Large Scale Computational Chemistry Modeling of the Oxidation of Highly Oriented Pyrolytic Graphite
2013 · Savio Poovathingal, Thomas E. Schwartzentruber, et al. · The Journal of Physical Chemistry A · 56
Ni on the CeO 2 (110) and (100) surfaces: adsorption vs. substitution effects on the electronic and geometric structures and oxygen vacancies
2016 · W. Q. Li, S. Goverapet Srinivasan, et al. · Physical Chemistry Chemical Physics · 49
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Direction dependent etching of diamond surfaces by hyperthermal atomic oxygen: A ReaxFF based molecular dynamics study
2014 · Sriram Goverapet Srinivasan, Adri C.T. van Duin · Carbon · 44
Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies
2016 · Sriram Goverapet Srinivasan, Radha Shivaramaiah, et al. · The Journal of Physical Chemistry C · 41
A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry
2017 · Sriram Goverapet Srinivasan, Radha Shivaramaiah, et al. · Physical Chemistry Chemical Physics · 36
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Determination of a Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Carbon Under Extreme Pressures and Temperatures
2013 · Nir Goldman, Sriram Goverapet Srinivasan, et al. · The Journal of Physical Chemistry C · 35
Surface segregation in the AgAuCuPdPt high entropy alloy: insights from molecular simulations
2022 · Chinmay Dahale, Sriram Goverapet Srinivasan, et al. · Molecular Systems Design & Engineering · 28
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Understanding flotation processes at the atomic scale using density functional theory – A case study on adsorption of 2-Mercaptobenzothiazole on chalcopyrite and pyrite surfaces
2021 · Dharmendr Kumar, Sriram Goverapet Srinivasan, et al. · Applied Surface Science · 26
Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure
2017 · Benjamin Doughty, Sriram Goverapet Srinivasan, et al. · The Journal of Physical Chemistry C · 25
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Thermodynamic, Spectroscopic, and Computational Studies of f -Element Complexation by N -Hydroxyethyl-diethylenetriamine- N,N ′, N ″, N ″-tetraacetic Acid
2017 · Travis S. Grimes, Colt R. Heathman, et al. · Inorganic Chemistry · 25
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Data-Driven Discovery of 2D Materials for Solar Water Splitting
2021 · Abhishek Agarwal, Sriram Goverapet Srinivasan, et al. · Frontiers in Materials · 22
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Interfacial structure in the liquid–liquid extraction of rare earth elements by phosphoric acid ligands: a molecular dynamics study
2020 · Balarama Sridhar Dwadasi, Sriram Goverapet Srinivasan, et al. · Physical Chemistry Chemical Physics · 21
A Density Functional Tight Binding Model with an Extended Basis Set and Three-Body Repulsion for Hydrogen under Extreme Thermodynamic Conditions
2014 · Sriram Goverapet Srinivasan, Nir Goldman, et al. · The Journal of Physical Chemistry A · 21
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Mineral–Water Interface Structure of Xenotime (YPO4) {100}
2018 · Andrew G. Stack, Joanne E. Stubbs, et al. · The Journal of Physical Chemistry C · 17
High-Throughput Exploration of Ti–V–Nb–Mo Carbide MXenes Using Neural Network Potentials and Their Evaluation as Catalysts for Hydrogen Evolution Reaction
2024 · Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, et al. · ACS Applied Materials & Interfaces · 12
Hydration structure and water exchange kinetics at xenotime–water interfaces: implications for rare earth minerals separation
2020 · Santanu Roy, Lili Wu, et al. · Physical Chemistry Chemical Physics · 12
Differential Stabilization of the Metal–Ligand Complexes between Organic and Aqueous Phases Drives the Selectivity of Phosphoric Acid Ligands toward Heavier Rare Earth Elements
2018 · Balarama Sridhar Dwadasi, Shally Gupta, et al. · Industrial & Engineering Chemistry Research · 11
Works count: 37
Citation count: 1,543
H-index: 21
I10-index: 25
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