About Us
The ParamChem project was run by a multi-disciplinary team consisting of members from various University institutions viz. CCS, NCSA, UMB and UFL. A few members of ParamChem have been associated and/or partnered with and pioneered the development projects such as GridChem and TeraGrid. A brief profile of people who directly contributed to the ParamChem project is given below.

Dr. Alex Mackerell
  • Principal Investigator
  • Director,  Computer Aided Drug Design (CADD) Center, University of Maryland School of Pharmacy
  • Heads the Mackerell Computational research laboratory
  • Expertise/Research Interest: Computer Aided Drug Design, Force Field Development and Molecular Dynamics
Dr. Sudhakar Pamidighantam
  • Research Scientist
  • National Center for Supercomputing Applications (NCSA)
  • Expertise/Research Interest: Molecular simulations and Cyberinfrastructure design, implementation, deployment and scientific community development
Dr. Michael Sheetz
  • Cyber Infrastructure Expert
  • Center for Computational Sciences (CCS), University of Kentucky
  • Associated with other projects - DOE-EPSCOR, NSF-EPSCOR and GridChem
  • Expertise/Research Interest: Computational physics, computational biochemistry, and the application of computational materials science in nanotoxicology, nanomedicine, electron energy loss spectroscopy, and the pharmaceutical sciences
Dr. Kenno Vanommeslaeghe
  • Research Specialist
  • MacKerell Lab, University of Maryland School of Pharmacy
  • Coordinates the ParamChem project and works on automatic parameter optimization
  • Expertise/Research Interest: Computer Aided Drug Design, Force Field Development and Optimization Algorithms
  • My personal page
Dr. Ning Shen
  • Postdoctoral Research Associate
  • Pamidighantam Lab, National Center for Supercomputing Applications (NCSA)
  • Worked on Paramberoo client and on integration between client, middleware for ParamChem project
  • Expertise/Research Interest: Multi-scale simulation studies of nanomaterials on HPC systems, parallel and distributed programming to develop scientific software for statistical data analysis and process automation
Vikram Gazula
  • IT Manager
  • Center for Computational Sciences (CCS), University of Kentucky
Remya
  • Graduate Research Assistant
  • Center for Computational Sciences (CCS), University of Kentucky
  • Worked on front end, atom typing web interface, middle ware and back end infrastructure
  • Expertise/Research Interest:   Java, Javascript, SQL, Unix/Linux, PHP, openLDAP
Narendra Kumar
  • Graduate Research Assistant
  • Center for Computational Sciences (CCS), University of Kentucky
  • Worked on front end, atom typing web interface, middle ware and back end infrastructure
  • Expertise/Research Interest:   Java, J2EE, Unix/Linux, PHP, PERL
Chandrima
  • Graduate Research Assistant
  • Center for Computational Sciences (CCS), University of Kentucky
  • Worked on front end, atom typing web interface, middle ware and back end infrastructure
  • Expertise/Research Interest:   Java, MySQL, Unix/Linux, PHP, Javascript, CSS, Salesforce
Dr. Jayeeta Ghosh
  • Postdoctoral Research Associate
  • Pamidighantam Lab, National Center for Supercomputing Applications (NCSA)
  • Worked on integration between front end, middle ware and back end infrastructure for ParamChem project
  • Expertise/Research Interest: Computational Chemistry including Molecular Dynamics, Monte Carlo, Mesoscale modeling, Quantitative Structure Property Relationship (Cheminformatics)
Michael Garrahan
  • Software Engineer
  • Expertise/Research Interest: Project management, Software configuration, deployment, testing
Dr. Nikhil Singh
  • Postdoctoral Research Associate
  • Pamidighantam Lab, National Center for Supercomputing Applications (NCSA)
  • Expertise/Research Interest: Mathematical modelling and Simulation of complex systems
Dr. John Connolly
  • Director, Center for Computational Sciences (CCS)
  • University of Kentucky
  • Former Divisional Director, Advanced Scientific Computing, NSF
  • Heads a multidisciplinary research center at CCS supporting a wide variety of projects in physics, chemistry, engineering, biomedicine and humanities
  • Expertise/Research Interest: Condensed Matter Physics and Chemistry
Dr. Adrian Roitberg