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K-mer clustering algorithm using a MapReduce framework: application to the parallelization of the Inchworm module of Trinity

BMC bioinformatics, 2017-11, Vol.18 (1), p.467-467, Article 467

2017

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Efficient Algorithm for the Topological Characterization of Worm-like and Branched Micelle Structures from Simulations

Journal of chemical theory and computation, 2020-07, Vol.16 (7), p.4588-4598

2020

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Topological “Shape” in Micellar Dynamics

ACS omega, 2024-04, Vol.9 (14), p.16084-16088

2024

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Roughness of Molecular Property Landscapes and Its Impact on Modellability

Journal of chemical information and modeling, 2022-10, Vol.62 (19), p.4660-4671

2022

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Self-Focusing Virtual Screening with Active Design Space Pruning

Journal of chemical information and modeling, 2022-08, Vol.62 (16), p.3854-3862

2022

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Toward a Standard Protocol for Micelle Simulation

The journal of physical chemistry. B, 2016-07, Vol.120 (26), p.6337-6351

2016

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A physics-inspired approach to the understanding of molecular representations and models

Molecular systems design & engineering, 2024-05, Vol.9 (5), p.449-455

2024

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Bayesian Optimization for Field-Scale Geological Carbon Storage

Engineering (Beijing, China), 2022-11, Vol.18 (11), p.96-104

2022

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Enabling High-Performance Computing as a Service

Computer (Long Beach, Calif.), 2012-10, Vol.45 (10), p.72-80

2012

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Evaluating the roughness of structure-property relationships using pretrained molecular representations

Digital discovery, 2023-10, Vol.2 (5), p.1452-146

2023

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A Computational Model for Overcoming Drug Resistance Using Selective Dual-Inhibitors for Aurora Kinase A and Its T217D Variant

Molecular pharmaceutics, 2013-12, Vol.10 (12), p.4572-4589

2013

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Simulation of large molecular systems with electronically-derived forces

Computer physics communications, 2021-07, Vol.264, p.107959, Article 107959

2021

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Modeling the performance of an algebraic multigrid cycle on HPC platforms

Proceedings of the international conference on Supercomputing, 2011, p.172-181

2011

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An efficient numerical evaluation of the Green's function for the Helmholtz operator on periodic structures

Journal of computational physics, 1986, Vol.63 (1), p.222-235

1986

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Preface

Applied numerical mathematics, 2012-06, Vol.62 (6), p.665-666

2012

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Systematic Reduction of Data Movement in Algebraic Multigrid Solvers

2013 IEEE International Symposium on Parallel & Distributed Processing, Workshops and Phd Forum, 2013, p.1675-1682

2013

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Geometric Topology & Visualizing 1-Manifolds

Topological Methods in Data Analysis and Visualization, 2010, p.1-12

2010

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Algebraic Multigrid on a Dragonfly Network: First Experiences on a Cray XC30

High Performance Computing Systems. Performance Modeling, Benchmarking, and Simulation, p.3-23

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Topological Integrity for Dynamic Spline Models During Visualization of Big Data

Topological Methods in Data Analysis and Visualization III, p.167-183

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A Numerical Treatment for Parabolic Equations with a Small Parameter

SIAM journal on mathematical analysis, 1983-05, Vol.14 (3), p.507-521

1983

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Using PVM and MPI for co-processed, distributed and parallel scientific visualization

Lecture notes in computer science, 1998, p.1098-1105

1998

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Exploring HPC-based scientific software as a service using CometCloud

10th IEEE International Conference on Collaborative Computing: Networking, Applications and Worksharing, 2014, p.35-44

2014

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Performance Modeling of Algebraic Multigrid on Blue Gene/Q: Lessons Learned

2012 SC Companion: High Performance Computing, Networking Storage and Analysis, 2012, p.377-385

2012

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Parallel interactive visualization of 3D mantle convection

IEEE computational science & engineering, 1996-01, Vol.3 (4), p.29-37

1996

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Performance Comparison of Large-Scale Scientific Computers: Scalar Mainframes, Mainframes with Integrated Vector Facilities, and Supercomputers

Computer (Long Beach, Calif.), 1987-03, Vol.20 (3), p.10-23

Jordan, Kirke

1987

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K-mer clustering algorithm using a MapReduce framework: application to the parallelization of the Inchworm module of Trinity

Efficient Algorithm for the Topological Characterization of Worm-like and Branched Micelle Structures from Simulations

Topological “Shape” in Micellar Dynamics

Roughness of Molecular Property Landscapes and Its Impact on Modellability

Self-Focusing Virtual Screening with Active Design Space Pruning

Toward a Standard Protocol for Micelle Simulation

A physics-inspired approach to the understanding of molecular representations and models

Bayesian Optimization for Field-Scale Geological Carbon Storage

Enabling High-Performance Computing as a Service

Evaluating the roughness of structure-property relationships using pretrained molecular representations

A Computational Model for Overcoming Drug Resistance Using Selective Dual-Inhibitors for Aurora Kinase A and Its T217D Variant

Simulation of large molecular systems with electronically-derived forces

Modeling the performance of an algebraic multigrid cycle on HPC platforms

An efficient numerical evaluation of the Green's function for the Helmholtz operator on periodic structures

Preface

Systematic Reduction of Data Movement in Algebraic Multigrid Solvers

Geometric Topology & Visualizing 1-Manifolds

Algebraic Multigrid on a Dragonfly Network: First Experiences on a Cray XC30

Topological Integrity for Dynamic Spline Models During Visualization of Big Data

A Numerical Treatment for Parabolic Equations with a Small Parameter

Using PVM and MPI for co-processed, distributed and parallel scientific visualization

Exploring HPC-based scientific software as a service using CometCloud

Performance Modeling of Algebraic Multigrid on Blue Gene/Q: Lessons Learned

Parallel interactive visualization of 3D mantle convection

Performance Comparison of Large-Scale Scientific Computers: Scalar Mainframes, Mainframes with Integrated Vector Facilities, and Supercomputers

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