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Scientific Reports
|
September 2, 2020
Applied machine learning for predicting the lanthanide-ligand binding affinities
Suryanaman Chaube, Sriram Goverapet Srinivasan, Beena Rai
ACS Applied Materials & Interfaces
|
December 4, 2023
Effects of Segregation on the Catalytic Properties of AgAuCuPdPt High-Entropy Alloy for CO Reduction Reaction
Chinmay Dahale, Sriram Goverapet Srinivasan, Beena Rai
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2020
Interfacial structure in the liquid-liquid extraction of rare earth elements by phosphoric acid ligands: a molecular dynamics study
Balarama Sridhar Dwadasi, Sriram Goverapet Srinivasan, Beena Rai
The Journal of Physical Chemistry. A
|
September 28, 2011
Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field
Sriram Goverapet Srinivasan, Adri C T van Duin
The Journal of Physical Chemistry. A
|
October 27, 2022
Systematic Identification of Atom-Centered Symmetry Functions for the Development of Neural Network Potentials
Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam, et al.
The Journal of Physical Chemistry. A
|
January 7, 2015
Development of a ReaxFF potential for carbon condensed phases and its application to the thermal fragmentation of a large fullerene
Sriram Goverapet Srinivasan, Adri C T van Duin, P Ganesh
ACS Applied Materials & Interfaces
|
December 28, 2024
High-Throughput Exploration of Ti-V-Nb-Mo Carbide MXenes Using Neural Network Potentials and Their Evaluation as Catalysts for Hydrogen Evolution Reaction
Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
Deepak Jain, Suryanaman Chaube, Prerna Khullar, et al.
The Journal of Physical Chemistry. A
|
June 25, 2014
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditions
Sriram Goverapet Srinivasan, Nir Goldman, Isaac Tamblyn, et al.
The Journal of Physical Chemistry. A
|
February 27, 2013
Large scale computational chemistry modeling of the oxidation of highly oriented pyrolytic graphite
Savio Poovathingal, Thomas E Schwartzentruber, Sriram Goverapet Srinivasan, et al.
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Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
Scientific Reports
|
September 2, 2020
Applied machine learning for predicting the lanthanide-ligand binding affinities
Suryanaman Chaube, Sriram Goverapet Srinivasan, Beena Rai
ACS Applied Materials & Interfaces
|
December 4, 2023
Effects of Segregation on the Catalytic Properties of AgAuCuPdPt High-Entropy Alloy for CO Reduction Reaction
Chinmay Dahale, Sriram Goverapet Srinivasan, Beena Rai
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2020
Interfacial structure in the liquid-liquid extraction of rare earth elements by phosphoric acid ligands: a molecular dynamics study
Balarama Sridhar Dwadasi, Sriram Goverapet Srinivasan, Beena Rai
The Journal of Physical Chemistry. A
|
September 28, 2011
Molecular-dynamics-based study of the collisions of hyperthermal atomic oxygen with graphene using the ReaxFF reactive force field
Sriram Goverapet Srinivasan, Adri C T van Duin
The Journal of Physical Chemistry. A
|
October 27, 2022
Systematic Identification of Atom-Centered Symmetry Functions for the Development of Neural Network Potentials
Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam, et al.
The Journal of Physical Chemistry. A
|
January 7, 2015
Development of a ReaxFF potential for carbon condensed phases and its application to the thermal fragmentation of a large fullerene
Sriram Goverapet Srinivasan, Adri C T van Duin, P Ganesh
ACS Applied Materials & Interfaces
|
December 28, 2024
High-Throughput Exploration of Ti-V-Nb-Mo Carbide MXenes Using Neural Network Potentials and Their Evaluation as Catalysts for Hydrogen Evolution Reaction
Mohammed Wasay Mudassir, Sriram Goverapet Srinivasan, Mahesh Mynam, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases
Deepak Jain, Suryanaman Chaube, Prerna Khullar, et al.
The Journal of Physical Chemistry. A
|
June 25, 2014
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditions
Sriram Goverapet Srinivasan, Nir Goldman, Isaac Tamblyn, et al.
The Journal of Physical Chemistry. A
|
February 27, 2013
Large scale computational chemistry modeling of the oxidation of highly oriented pyrolytic graphite
Savio Poovathingal, Thomas E Schwartzentruber, Sriram Goverapet Srinivasan, et al.
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of 2