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Gaurav Vishwakarma

4 results in Authors: Gaurav Vishwakarma

Theoretical and Computational Chemistry

Liquid Organic Hydrogen Carriers: High-throughput Screening of Homogeneous Catalysts

Gaurav Vishwakarma, Johannes Hachmann

Version 1 posted 13 February 2023

337

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1

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Theoretical and Computational Chemistry

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Gaurav Vishwakarma, Mojtaba Haghighatlari, Johannes Hachmann

Version 1 posted 09 September 2019

966

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5

Citations

Theoretical and Computational Chemistry

ChemML: A Machine Learning and Informatics Program Package for the Analysis, Mining, and Modeling of Chemical and Materials Data

Mojtaba Haghighatlari, Gaurav Vishwakarma, Doaa Altarawy, Ramachandran Subramanian, Bhargava Urala Kota, Aditya Sonpal, Srirangaraj Setlur, Johannes Hachmann

Version 1 posted 26 June 2019

1,896

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1

Citations

Theoretical and Computational Chemistry

A Physics-Infused Deep Learning Model for the Prediction of Refractive Indices and Its Use for the Large-Scale Screening of Organic Compound Space

Mojtaba Haghighatlari, Gaurav Vishwakarma, Mohammad Atif Faiz Afzal, Johannes Hachmann

Version 1 posted 08 July 2019

1,080

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1

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