Priya Vashishta

Orcid: 0000-0003-4683-429X

Affiliations:
  • University of Southern California, Los Angeles, USA


According to our database1, Priya Vashishta authored at least 69 papers between 1989 and 2024.

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Bibliography

2024
Generative AI-driven forecasting of oil production.
CoRR, 2024

Accelerating Quantum Light-Matter Dynamics on Graphics Processing Units.
Proceedings of the IEEE International Parallel and Distributed Processing Symposium, 2024

2023
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization.
Proceedings of the High Performance Computing - 38th International Conference, 2023

2022
Neural Network for Principle of Least Action.
J. Chem. Inf. Model., 2022

Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction.
CoRR, 2022

2021
PND: Physics-informed neural-network software for molecular dynamics applications.
SoftwareX, 2021

MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers.
SoftwareX, 2021

Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations.
J. Chem. Inf. Model., 2021

Ex-NNQMD: Extreme-Scale Neural Network Quantum Molecular Dynamics.
Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2021

2020
RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.
SoftwareX, 2020

Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations.
Comput. Phys. Commun., 2020

Physics-informed Neural-Network Software for Molecular Dynamics Applications.
CoRR, 2020

Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning.
CoRR, 2020

Neural Network Molecular Dynamics at Scale.
Proceedings of the 2020 IEEE International Parallel and Distributed Processing Symposium Workshops, 2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials.
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2020

2019
QXMD: An open-source program for nonadiabatic quantum molecular dynamics.
SoftwareX, 2019

Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality.
SoftwareX, 2019

Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis.
Comput. Sci. Eng., 2019

2018
Acceleration of Dynamic n-Tuple Computations in Many-Body Molecular Dynamics.
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2018

2017
A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics.
Comput. Phys. Commun., 2017

2016
A high-throughput multiobjective genetic-algorithm workflow for <i>in situ</i> training of reactive molecular-dynamics force fields.
Proceedings of the 24th High Performance Computing Symposium, 2016

Order-Invariant Real Number Summation: Circumventing Accuracy Loss for Multimillion Summands on Multiple Parallel Architectures.
Proceedings of the 2016 IEEE International Parallel and Distributed Processing Symposium, 2016

2015
An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations.
Comput. Phys. Commun., 2015

Quantum Molecular Dynamics in the Post-Petaflops Era.
Computer, 2015

2014
Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand.
Proceedings of the International Conference for High Performance Computing, 2014

2013
Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics.
J. Supercomput., 2013

Scalability study of molecular dynamics simulation on Godson-T many-core architecture.
J. Parallel Distributed Comput., 2013

Large nonadiabatic quantum molecular dynamics simulations on parallel computers.
Comput. Phys. Commun., 2013

A scalable parallel algorithm for dynamic range-limited <i>n</i>-tuple computation in many-body molecular dynamics simulation.
Proceedings of the International Conference for High Performance Computing, 2013

Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications.
Proceedings of the 2013 IEEE International Symposium on Parallel & Distributed Processing, 2013

2012
Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters.
J. Supercomput., 2012

Molecular Dynamics Simulation of Amorphous SiO2 Fracture.
Proceedings of the 2012 SC Companion: High Performance Computing, 2012

Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering.
Proceedings of the Euro-Par 2012 Parallel Processing - 18th International Conference, 2012

2011
Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters.
J. Supercomput., 2011

Performance analysis and optimization of molecular dynamics simulation on <i>Godson-T</i> many-core processor.
Proceedings of the 8th Conference on Computing Frontiers, 2011

2010
DNA Sequencing via Quantum Mechanics and Machine Learning
CoRR, 2010

Preliminary Investigation of Accelerating Molecular Dynamics Simulation on Godson-T Many-Core Processor.
Proceedings of the Euro-Par 2010 Parallel Processing Workshops, 2010

Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics.
Proceedings of the 2010 International Conference on Scientific Computing, 2010

2009
An MPI Performance Monitoring Interface for Cell Based Compute Nodes.
Parallel Process. Lett., 2009

A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters.
Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, 2009

In-Core Optimization of High-Order Stencil Computations.
Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, 2009

High-order stencil computations on multicore clusters.
Proceedings of the 23rd IEEE International Symposium on Parallel and Distributed Processing, 2009

A metascalable computing framework for large spatiotemporal-scale atomistic simulations.
Proceedings of the 23rd IEEE International Symposium on Parallel and Distributed Processing, 2009

A Multilevel Parallelization Framework for High-Order Stencil Computations.
Proceedings of the Euro-Par 2009 Parallel Processing, 2009

2008
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers.
Int. J. High Perform. Comput. Appl., 2008

A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations.
Comput. Phys. Commun., 2008

Parallel Lattice Boltzmann Flow Simulation on Emerging Multi-core Platforms.
Proceedings of the Euro-Par 2008, 2008

2007
Parallel history matching and associated forecast at the center for interactive smart oilfield technologies.
J. Supercomput., 2007

Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics.
Comput. Phys. Commun., 2007

Intelligent Optimization of Parallel and Distributed Applications.
Proceedings of the 21th International Parallel and Distributed Processing Symposium (IPDPS 2007), 2007

2006
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks.
Comput. Phys. Commun., 2006

Grid applications - Sustainable adaptive grid supercomputing: multiscale simulation of semiconductor processing across the pacific.
Proceedings of the ACM/IEEE SC2006 Conference on High Performance Networking and Computing, 2006

2005
Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory.
Comput. Phys. Commun., 2005

2004
Scalable and portable visualization of large atomistic datasets.
Comput. Phys. Commun., 2004

2003
Immersive and Interactive Exploration of Billion-Atom Systems.
Presence Teleoperators Virtual Environ., 2003

Large multidimensional data visualization for materials science.
Comput. Sci. Eng., 2003

Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations.
Proceedings of the 17th International Parallel and Distributed Processing Symposium (IPDPS 2003), 2003

2002
Scalable atomistic simulation algorithms for materials research.
Sci. Program., 2002

Immersive and Interactive Exploration of Billion-Atom Systems.
Proceedings of the IEEE Virtual Reality Conference 2002, 2002

Collaborative simulation grid: multiscale quantum-mechanical/classical atomistic simulations on distributed PC clusters in the US and Japan.
Proceedings of the 2002 ACM/IEEE conference on Supercomputing, 2002

Info-Bio-Nano Interface: High-Performance Computing & Visualization.
Proceedings of the High Performance Computing, 2002

2001
Multiscale simulation of nanosystems.
Comput. Sci. Eng., 2001

2000
A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors.
Future Gener. Comput. Syst., 2000

1999
Dynamic Fracture Analysis.
Comput. Sci. Eng., 1999

Large-scale atomistic simulations of dynamic fracture.
Comput. Sci. Eng., 1999

Scalable molecular-dynamics, visualization, and data management algorithms for materials simulations.
Comput. Sci. Eng., 1999

1998
Multilevel Algorithms for Large-scope Molecular Dynamics Simulations of Nanostructures on Parallel Computers.
VLSI Design, 1998

1990
Quantum Molecular Dynamics: a New Algorithm for Linear and Nonlinear Electron Transport in Disordered Materials.
Int. J. High Perform. Comput. Appl., 1990

1989
Molecular Dynamics Algorithm on the Connection Machine.
Int. J. High Speed Comput., 1989


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