Research Applications

Research is driven by robust applications that have proven their value to the broad community. They offer sophisticated capabilities and competitive performance, and the are supported directly and/or by the research community.

I have extensive experience using, optimizing, porting, and designing advanced computing systems for research applications spanning diverse domains.

Application Domains

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Biology

Molecular dynamics and bioinformatics (genomics), including applications such as GROMACS, AMBER, NAMD,
Bowtie, and Velvet.

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Chemistry and Materials

Quantum chemistry and ab initio molecular dynamics, including applications such as VASP, Gaussian, NWChem, GAMESS, and
Quantum Espresso.

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Physics

Cosmology, QCD (quantum chromodynamics), and direct numerical simulation of turbulence including applications such as GADGET, MILC, and DNS.

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AI Frameworks

Artificial intelligence and machine learning frameworks, including TensorFlow, PyTorch, the Python ecosystem and Anaconda, and NVIDIA GPU Cloud (NGC) containers.

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Data Analytics

Classical statistics and Bayesian methods (causal discovery), including applications such as
Jupyter Notebooks, R, and FGES (Fast Greedy Equivalence Search / The Causal Web).

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Visualization

Scientific and information visualization,
including applications such as VisIt, ParaView, VMD, Plotly, Seaborn, and three.js.