Kshitij V. Mehta

Contact Information

mehtakv@ornl.gov

865.574.1739

orcid.org/0000-0002-9714-9981

Kshitij V Mehta

Computer Scientist

Bio

Dr. Kshitij V. Mehta is a Computer Scientist in the Workflow Systems Group. His interests span scalable workflow computing and large data management.

Publications

Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models...

December, 2022

Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules...

Journal: Journal of Cheminformatics

October, 2022

Official Report on the 2021 Computational and Autonomous Workflows Workshop (CAW 2021)...

March, 2022

A Community Roadmap for Scientific Workflows Research and Development...

November, 2021

Reusability First: Toward FAIR Workflows...

September, 2021

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