Huub J. J. Van Dam

Orcid: 0000-0002-0876-3294

According to our database1, Huub J. J. Van Dam authored at least 27 papers between 1996 and 2024.

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PhD thesis 


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An Evaluation of Real-time Adaptive Sampling Change Point Detection Algorithm using KCUSUM.
CoRR, 2024

Asynchronous Multi-Level Checkpointing: An Enabler of Reproducibility using Checkpoint History Analytics.
Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, 2023

Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats.
Proceedings of the International Conference on Machine Learning and Applications, 2023

Building the I (Interoperability) of FAIR for Performance Reproducibility of Large-Scale Composable Workflows in RECUP.
Proceedings of the 19th IEEE International Conference on e-Science, 2023

High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor.
J. Chem. Inf. Model., 2022

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx.
Parallel Comput., 2021

Online data analysis and reduction: An important Co-design motif for extreme-scale computers.
Int. J. High Perform. Comput. Appl., 2021

Scalable HPC & AI infrastructure for COVID-19 therapeutics.
Proceedings of the PASC '21: Platform for Advanced Scientific Computing Conference, 2021

Scalable HPC and AI Infrastructure for COVID-19 Therapeutics.
CoRR, 2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool.
CoRR, 2020

On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.
CoRR, 2020

Targeting SARS-CoV-2 with AI- and HPC-enabled Lead Generation: A First Data Release.
CoRR, 2020

Chimbuko: A Workflow-Level Scalable Performance Trace Analysis Tool.
Proceedings of the ISAV@SC 2020: ISAV'20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization, 2020

Theory-Software Translation: Research Challenges and Future Directions.
CoRR, 2019

Replicating Machine Learning Experiments in Materials Science.
Proceedings of the Parallel Computing: Technology Trends, 2019

Exploratory Visual Analysis of Anomalous Runtime Behavior in Streaming High Performance Computing Applications.
Proceedings of the Computational Science - ICCS 2019, 2019

Performance Visualization for TAU Instrumented Scientific Workflows.
Proceedings of the 13th International Joint Conference on Computer Vision, Imaging and Computer Graphics Theory and Applications (VISIGRAPP 2018), 2018

Fault Modeling of Extreme Scale Applications Using Machine Learning.
Proceedings of the 2016 IEEE International Parallel and Distributed Processing Symposium, 2016

Diagnosing the causes and severity of one-sided message contention.
Proceedings of the 20th ACM SIGPLAN Symposium on Principles and Practice of Parallel Programming, 2015

On the suitability of MPI as a PGAS runtime.
Proceedings of the 21st International Conference on High Performance Computing, 2014

Building Scalable PGAS Communication Subsystem on Blue Gene/Q.
Proceedings of the 2013 IEEE International Symposium on Parallel & Distributed Processing, 2013


NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations.
Comput. Phys. Commun., 2010

Fault-tolerant communication runtime support for data-centric programming models.
Proceedings of the 2010 International Conference on High Performance Computing, 2010

Starting SCF calculations by superposition of atomic densities.
J. Comput. Chem., 2006

An improvement of Davidson's iteration method: Applications to MRCI and MRCEPA calculations.
J. Comput. Chem., 1996