Kshitij V Mehta Computer Scientist Contact mehtakv@ornl.gov | 865.574.1739 All Publications Deep learning workflow for the inverse design of molecules with specific optoelectronic properties DDStore: Distributed Data Store for Scalable Training of Graph Neural Networks on Large Atomistic Modeling Datasets Two excited-state datasets for quantum chemical UV-vis spectra of organic molecules Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models... Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules... Running Ensemble Workflows at Extreme Scale: Lessons Learned and Path Forward A codesign framework for online data analysis and reduction Official Report on the 2021 Computational and Autonomous Workflows Workshop (CAW 2021)... A Community Roadmap for Scientific Workflows Research and Development... Reusability First: Toward FAIR Workflows... DYFLOW: A flexible framework for orchestrating scientific workflows on supercomputers... The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science... Data Federation Challenges in Remote Near-Real-Time Fusion Experiment Data Processing... Visualization as a Service for Scientific Data... ADIOS 2: The Adaptable Input Output System. A framework for high-performance data management... Extending the Publish/Subscribe Abstraction for High-Performance I/O and Data Management at Extreme Scale... A Codesign Framework for Online Data Analysis and Reduction... Understanding Performance-Quality Trade-offs in Scientific Visualization Workflows with Lossy Compression... A Co-Design Study Of Fusion Whole Device Modeling Using Code Coupling... Understanding Performance-Quality Trade-offs in Scientific Visualization Workflows with Lossy Compression... A Vision for Managing Extreme-Scale Data Hoards... Data Management Challenges of Exascale Scientific Simulations: A Case Study with the Gyrokinetic Toroidal Code and ADIOS... Coupling Exascale Multiphysics Applications: Methods and Lessons Learned... A View from ORNL: Scientific Data Research Opportunities in the Big Data Age In Situ Analysis and Visualization of Fusion Simulations: Lessons Learned... Pagination Current page 1 Page 2 Next page ›› Last page Last » Key Links Google Scholar ORCID LinkedIn GitHub
