Staff

The Scientific Computing Center has staff with background in algorithms, computer science, mathematics, numerical methods, and physics.

Center Director

Steve Hammond

Manage the lab-wide efforts in basic and applied research in computational science and high performance computing.

High Performance Computing

Jim Albin

Sr. IT Administrator

Education

B.S. Mathematics — Computer Science Concentration, 1983, Metropolitan State College of Denver

Primary Research Interests

High performance computing and linux clusters
Unix system administration
Perl programming
Computer hardware installation

Algorithms and Applications

		Christopher Chang Research Scientist Primary Research Interests Flow of energy and information through complex natural systems Systems biology of biofuels production, using high-performance computing to characterize and engineer high-dimensional space of reaction parameters in metabolic networks Protein engineering, including computational heuristic methods, classical mechanics, and mixed-mode quantum and classical mechanics Hydrogenase structure/dynamics/function relationships to understand the mechanistic issues surrounding electron transfer and proton reduction catalysis in biological or hybrid chemobiological dihydrogen production systems Electronic structure of enzymatic transition-metal cofactors and highly correlated molecular systems.
		Peter Graf Research Scientist Primary Research Interests Optimization and heuristic search Computational materials science Nanostructures

		Wesley Jones Senior Computational Scientist Primary Research Interests Enabling scientific research using NREL high performance computing resources

		Kwiseon Kim Senior Scientist Primary Research Interests Computational materials physics — focusing on simulating electronic, optical, structural, and vibrational properties of semiconductor compounds, alloys and their superstructures Nanoscale material design by optimization - theory and modeling in nanoscience project New focus — modeling and simulation for biological hydrogen production Gas diffusion studies inside [Fe]-hydrogenases Protein-protein interactions using molecular docking
		Daniel Korytina Research Assistant Affiliations Student (MS Computer Science, UCB) Sponsored EFL Student Faculty Primary Research Interests High-throughput chemical data interaction tools Interoperability of heterogeneous systems Database systems Graphical interfaces to databases Web-based information systems.

		Muhammet Erkan Kose Postdoctoral Researcher Education Ph.D. in Chemistry, University of Florida, 2005 Primary Research Interests Quantum mechanical calculations on conjugated organic materials. Modeling photophysical properties of thiophene-based dendrimeric structures for photovoltaic applications. Charge transport/mobility calculations and molecular dynamic simulations for organic systems.

		Hai Long Postdoctoral Researcher Education Ph.D. of Chemistry, Northwestern University, 2006 Primary Research Interests Computational modeling of protein-protein docking Electron transfer process inside hydrogenase

		Glenn Murray Contractor Education Ph.D. in Algebraic Geometry from Colorado State University Primary Research Interests Scientific data management: Applying and creating open-source software tools in aid of extracting, transforming, storing, and presenting scientific data. Especially interested in bridging "data islands" within an organization. High-performance computing front ends: GUI programs to manage job submission to numerical solvers, including creating, submitting, retrieving, storing, and disseminating jobs and results. Molecular conformation: Molecular dynamics (Monte Carlo simulation) and lowest energy states, software tools for visualizing molecules.

		Jennifer Nguyen Administrative Assistant Associate in Theology 2000

		Qingzhong Zhao Postdoctoral Researcher Primary Research Interests Large scale first-principles methods, mainly focus on the linear scaling electronic structure theory, implementation and improvement. Multi-scale materials simulations Electronic transport in nanostructures The mechanical and transport properties of Carbon Nanotubes New focus — modeling and simulation of various semiconductor nanostructures, metal nano-crystals