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7 results in Authors: ganesh sivaraman

Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity

Jeremy Feinstein, ganesh sivaraman, Kurt Picel, Brian Peters, Alvaro Vazquez-Mayagoitia, Arvind Ramanathan, Margaret MacDonell, Ian Foster, Eugene Yan

Version 1 posted 15 April 2021

585

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Physical Chemistry

Working Paper

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

Samuel Tovey, Anand Narayanan Krishnamoorthy, ganesh sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm

Version 1 posted 22 May 2020

972

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Physical Chemistry

Working Paper

A Composition-Transferable Machine Learning Potential for LiCl-KCl Molten Salts Validated by HEXRD

Jicheng Guo, Logan Ward, Yadu Babuji, Nathaniel Hoyt, Mark Williamson, Ian Foster, Nicholas Jackson, Chris Benmore, ganesh sivaraman

Version 1 posted 04 February 2022

644

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Theoretical and Computational Chemistry

Working Paper

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

ganesh sivaraman, Nicholas Jackson, Benjamin Sanchez-Lengeling, Alvaro Vazquez-Mayagoitia, Alan Aspuru-Guzik, Venkatram Vishwanath, Juan de Pablo

Version 1 posted 30 September 2019

1,885

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Physical Chemistry

Working Paper

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

ganesh sivaraman, Jicheng Guo, Logan Ward, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, Nicholas Jackson

Version 1 posted 18 March 2021

761

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Energy

Working Paper

AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures

Jicheng Guo, Vanessa Woo, David Andersson, Nathaniel Hoyt, Mark Williamson, Ian Foster, Chris Benmore, Nicholas Jackson, Ganesh Sivaraman

Version 1 posted 24 April 2023

580

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Theoretical and Computational Chemistry

Working Paper

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Nicholas Jackson, Ganesh Sivaraman

Version 1 posted 06 October 2021

383

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7 results in ganesh sivaraman in Authors: ganesh sivaraman

Uncertainty-Informed Deep Transfer Learning of PFAS Toxicity

DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning

A Composition-Transferable Machine Learning Potential for LiCl-KCl Molten Salts Validated by HEXRD

A Diversified Machine Learning Strategy for Predicting and Understanding Molecular Melting Points

Automated Development of Molten Salt Machine Learning Potentials: Application to LiCl

AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

7 results in Authors: ganesh sivaraman