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Theoretical and Computational Chemistry

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Girish Varma

3 results in Authors: Girish Varma

Theoretical and Computational Chemistry

DeepSPInN - Deep reinforcement learning for molecular Structure Prediction from Infrared and 13C NMR spectra

Sriram Devata, Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, Siddhartha Laghuvarapu, Girish Varma, Deva Priyakumar

Version 2 posted 17 January 2024

837

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Theoretical and Computational Chemistry

Deep Learning Enabled Inorganic Material Generator

Yashaswi Pathak, Karandeep Singh Juneja, Girish Varma, Masahiro Ehara, U. Deva Priyakumar

Version 1 posted 18 May 2020

1,879

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Theoretical and Computational Chemistry

Leveraging High-Spin DFT Features for Prediction of Spin State Gaps in 3d Transition Metal Complexes

Anuj Kumar Ray, Sandeep Nagar, Girish Varma, U Deva Priyakumar, Ankan Paul

Version 1 posted 26 March 2025

76

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