World's Best Scientists 2026 revealed!

D-Index & Metrics

Computer Science

D-Index
32
Citations
4101
World Ranking
13209
National Ranking
5300

Research.com Recognitions

  • 2020 - ACM Gordon Bell Prize AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

Overview

Shantenu Jha is affiliated with Rutgers, The State University of New Jersey in the United States. Their research spans several interdisciplinary fields, including Computer Science, Biochemistry, Genetics and Molecular Biology, and Decision Sciences.

The scientist's main fields of study include:

  • Computer Science
  • Biochemistry, Genetics and Molecular Biology
  • Decision Sciences

In terms of subfields, their work engages with topics such as:

  • Information Systems and Management
  • Computer Networks and Communications
  • Molecular Biology
  • Information Systems
  • Materials Chemistry

The primary topics covered in their research focus on:

  • Scientific Computing and Data Management
  • Distributed and Parallel Computing Systems
  • Cloud Computing and Resource Management
  • Machine Learning in Materials Science
  • Research Data Management Practices
  • Computational Drug Discovery Methods
  • Protein Structure and Dynamics

The scientist has published extensively across various venues, with frequent publications in:

  • arXiv (Cornell University)
  • The International Journal of High Performance Computing Applications
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Future Generation Computer Systems
  • Zenodo (CERN European Organization for Nuclear Research)

Recent notable papers include:

  • "AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics" (2021) published in The International Journal of High Performance Computing Applications
  • "High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor" (2021) published in Journal of Chemical Information and Modeling
  • "#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol" (2022) published in The International Journal of High Performance Computing Applications
  • "The Framework for Assessing Changes To Sea-level (FACTS) v1.0: a platform for characterizing parametric and structural uncertainty in future global, relative, and extreme sea-level change" (2023) published in Geoscientific model development
  • "FAIR for AI: An interdisciplinary and international community building perspective" (2023) published in Scientific Data

Frequent co-authors in Shantenu Jha's research include:

  • Matteo Turilli
  • André Merzky
  • Hyungro Lee
  • Arvind Ramanathan
  • Kyle Chard

They have received recognition such as the ACM Gordon Bell Prize in 2020 for the work titled "AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics."

Best Publications

  • Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors.

    David W. Wright;Benjamin A. Hall;Owain A. Kenway;Shantenu Jha

  • SAGA: A Simple API for Grid Applications. High-level application programming on the Grid

    Tom Goodale;Shantenu Jha;Hartmut Kaiser;Thilo Kielmann

  • Using clouds to provide grids with higher levels of abstraction and explicit support for usage modes

    Shantenu Jha;Andre Merzky;Geoffrey Fox

  • AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

    Lorenzo Casalino;Abigail C. Dommer;Zied Gaieb;Emilia P. Barros

  • SAGA BigJob: An Extensible and Interoperable Pilot-Job Abstraction for Distributed Applications and Systems

    André Luckow;Lukasz Lacinski;Shantenu Jha

  • Computational steering in realitygrid

    JM Brooke;PV Coveney;Jdr Jens Harting;S Jha

  • A Tale of Two Data-Intensive Paradigms: Applications, Abstractions, and Architectures

    Shantenu Jha;Judy Qiu;Andre Luckow;Pradeep Mantha

  • High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.

    Austin Clyde;Austin Clyde;Stephanie Galanie;Daniel W Kneller;Heng Ma

  • Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science

    Anna Krylov;Theresa L. Windus;Taylor Barnes;Eliseo Marin-Rimoldi

  • A Comprehensive Perspective on Pilot-Job Systems

    Matteo Turilli;Mark Santcroos;Shantenu Jha

  • Steering in computational science: mesoscale modelling and simulation

    J Chin;Jdr Jens Harting;S Jha;PV Coveney

  • Exploring the Performance Fluctuations of HPC Workloads on Clouds

    Yaakoub El-Khamra;Hyunjoo Kim;Shantenu Jha;Manish Parashar

  • Autonomic management of application workflows on hybrid computing infrastructure

    Hyunjoo Kim;Yaakoub el-Khamra;Ivan Rodero;Shantenu Jha

  • P∗: A model of pilot-abstractions

    Andre Luckow;Mark Santcroos;Andre Merzky;Ole Weidner

  • Big Data, Simulations and HPC Convergence

    Geoffrey C. Fox;Judy Qiu;Shantenu Jha;Saliya Ekanayake

  • Using clouds to provide grids with higher levels of abstraction and explicit support for usage modes

    Unknown

  • NEKTAR, SPICE and Vortonics: using federated grids for large scale scientific applications

    B. Boghosian;P. Coveney;S. Dong;L. Finn

  • An Autonomic Approach to Integrated HPC Grid and Cloud Usage

    Hyunjoo Kim;Yaakoub el-Khamra;Shantenu Jha;Manish Parashar

  • SAGA: A standardized access layer to heterogeneous Distributed Computing Infrastructure

    Andre Merzky;Ole Weidner;Shantenu Jha

  • Programming Abstractions for Data Intensive Computing on Clouds and Grids

    Chris Miceli;Michael Miceli;Shantenu Jha;Hartmut Kaiser

  • Middleware Building Blocks for Workflow Systems

    Matteo Turilli;Vivek Balasubramanian;Andre Merzky;Ioannis Paraskevakos

  • AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics

    Lorenzo Casalino;Abigail Dommer;Zied Gaieb;Emilia P Barros

  • High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor

    Austin Clyde;Austin Clyde;Austin Clyde;Stephanie Galanie;Stephanie Galanie;Daniel W. Kneller;Daniel W. Kneller;Heng Ma;Heng Ma

  • Efficient large-scale replica-exchange simulations on production infrastructure

    Abhinav Thota;André Luckow;Shantenu Jha;Shantenu Jha

Frequent Co-Authors

Daniel S. Katz
Daniel S. Katz University of Illinois at Urbana-Champaign
Peter V. Coveney
Peter V. Coveney University College London
Geoffrey C. Fox
Geoffrey C. Fox University of Virginia
Rick Stevens
Rick Stevens Argonne National Laboratory
Ian Foster
Ian Foster University of Chicago
Kaushik De
Kaushik De The University of Texas at Arlington
Kyle Chard
Kyle Chard University of Chicago
Manish Parashar
Manish Parashar University of Utah
Thomas Brettin
Thomas Brettin Argonne National Laboratory
Omer F. Rana
Omer F. Rana Cardiff University

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