World's Best Scientists 2026 revealed!

D-Index & Metrics

Computer Science

D-Index
36
Citations
5584
World Ranking
11255
National Ranking
4647

Research.com Recognitions

  • 2007 - ACM Gordon Bell Prize Extending Stability Beyond CPU Millennium: A Micron-Scale Atomistic Simulation of Kelvin-Helmholtz Instability.
  • 2006 - ACM Gordon Bell Prize Large-scale Electronic Structure Calculations of High-Z Metals on the BlueGene/L Platform

Overview

John A. Gunnels is a researcher affiliated with Nvidia, based in the United States. Their research primarily spans the field of Computer Science, with particular focus on various specialized subfields and topics.

The main subfields of study in their work include:

  • Artificial Intelligence
  • Computational Theory and Mathematics
  • Molecular Biology
  • Hardware and Architecture
  • Electrical and Electronic Engineering

Their research covers a range of topics, notably:

  • Parallel Computing and Optimization Techniques
  • Computational Physics and Python Applications
  • Computational Drug Discovery Methods
  • Protein Structure and Dynamics
  • Machine Learning in Bioinformatics
  • Quantum Computing Algorithms and Architecture
  • Numerical Methods and Algorithms

John A. Gunnels has published several papers in prominent venues. Notable recent works include:

  • "Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19," 2020, Journal of Chemical Information and Modeling
  • "cuQuantum SDK: A High-Performance Library for Accelerating Quantum Science," 2023, arXiv (Cornell University)
  • "Hardware Trends Impacting Floating-Point Computations In Scientific Applications," 2024, arXiv (Cornell University)
  • "Mixed-precision ab initio tensor network state methods adapted for NVIDIA Blackwell technology via emulated FP64 arithmetic," 2025, arXiv (Cornell University)

Frequent publication venues for their work are:

  • arXiv (Cornell University)
  • Journal of Chemical Information and Modeling

Collaborations have been established with a number of co-authors, including:

  • Harun Bayraktar
  • Azzam Haidar
  • Atanu Acharya
  • Rupesh Agarwal
  • Matthew Baker

John A. Gunnels has received two ACM Gordon Bell Prizes in consecutive years. The 2006 prize was awarded for work on large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform. The 2007 prize was for extending stability in a micron-scale atomistic simulation of Kelvin-Helmholtz instability.

Best Publications

  • An Overview of the BlueGene/L Supercomputer

    N.R. Adiga;G. Almasi;G.S. Almasi;Y. Aridor

  • Multi-petascale highly efficient parallel supercomputer

    Sameh Asaad;Ralph E. Bellofatto;Michael A. Blocksome;Matthias A. Blumrich

  • FLAME: Formal Linear Algebra Methods Environment

    John A. Gunnels;Fred G. Gustavson;Greg M. Henry;Robert A. van de Geijn

  • The science of deriving dense linear algebra algorithms

    Paolo Bientinesi;John A. Gunnels;Margaret E. Myers;Enrique S. Quintana-Ortí

  • Active Memory Cube: A processing-in-memory architecture for exascale systems

    Ravi Nair;Samuel Antão;Carlo Bertolli;Pradip Bose

  • Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19.

    A. Acharya;R. Agarwal;R. Agarwal;M. B. Baker;J. Baudry

  • Leveraging Secondary Storage to Simulate Deep 54-qubit Sycamore Circuits

    Edwin Pednault;John A. Gunnels;Giacomo Nannicini;Lior Horesh

  • Breaking the 49-Qubit Barrier in the Simulation of Quantum Circuits

    Edwin Pednault;John A. Gunnels;Giacomo Nannicini;Lior Horesh

  • Scalable Community Detection with the Louvain Algorithm

    Xinyu Que;Fabio Checconi;Fabrizio Petrini;John A. Gunnels

  • Extending stability beyond CPU millennium: a micron-scale atomistic simulation of Kelvin-Helmholtz instability

    J. N. Glosli;D. F. Richards;K. J. Caspersen;R. E. Rudd

  • The BLIS Framework: Experiments in Portability

    Field G. Van Zee;Tyler M. Smith;Bryan Marker;Tze Meng Low

  • PLAPACK Parallel Linear Algebra Package Design Overview

    Philip Alpatov;Greg Baker;Carter Edwards;John Gunnels

  • Large-scale electronic structure calculations of high-Z metals on the BlueGene/L platform

    Francois Gygi;Erik W. Draeger;Martin Schulz;Bronis R. de Supinski

  • An experimental comparison of cache-oblivious and cache-conscious programs

    Kamen Yotov;Tom Roeder;Keshav Pingali;John Gunnels

  • MPI Collective Communications on The Blue Gene/P Supercomputer: Algorithms and Optimizations

    Ahmad Faraj;Sameer Kumar;Brian Smith;Amith Mamidala

  • Design and implementation of message-passing services for the Blue Gene/L supercomputer

    G. Almási;C. Archer;J. G. Castaños;J. A. Gunnels

  • A flexible class of parallel matrix multiplication algorithms

    J. Gunnels;C. Lin;G. Morrow;R. van de Geijn

  • A family of high-performance matrix multiplication algorithms

    John A. Gunnels;Greg M. Henry;Robert A. van de Geijn

  • Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer

    E. Bohm;A. Bhatele;L. V. Kalé;M. E. Tuckerman

  • MPI collective communications on the blue gene/p supercomputer: algorithms and optimizations

    Ahmad Faraj;Sameer Kumar;Brian Smith;Amith Mamidala

  • Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

    Atanu Acharya;Rupesh Agarwal;Matthew Baker;Jerome Baudry

Frequent Co-Authors

Fred G. Gustavson
Fred G. Gustavson Umeå University
Robert A. van de Geijn
Robert A. van de Geijn The University of Texas at Austin
Manish Gupta
Manish Gupta Google (United States)
Alexandre E. Eichenberger
Alexandre E. Eichenberger IBM (United States)
José E. Moreira
José E. Moreira IBM (United States)
Michael Karl Gschwind
Michael Karl Gschwind IBM (United States)
Alan Gara
Alan Gara IBM (United States)
Sameer Kumar
Sameer Kumar Google (United States)
Bronis R. de Supinski
Bronis R. de Supinski Lawrence Livermore National Laboratory
Enrique S. Quintana-Ortí
Enrique S. Quintana-Ortí Universitat Politècnica de València

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