Ross Walker, Ph.D.


  • Director -  Walker Molecular Dynamics Lab
  • Co-Director -  CUDA Teaching Center
  • Director -  Intel Parallel Computing Center
  • Adjunct Professor -  Department of Chemistry and Biochemistry, UC San Diego


Ross Walker is an Associate Research Professor at the San Diego Supercomputer Center as well as an Adjunct Associate Professor in the Department of Chemistry and Biochemistry at UC San Diego and a fellow of NVIDIA Inc. He is the Director of the UCSD CUDA Teaching Center based at the San Diego Supercomputer Center and Director of the SDSC Intel Parallel Computing Center of Excellence. Prof. Walker runs the Walker Molecular Dynamics Lab ( based at the San Diego Supercomputer Center where he leads a team of researchers who seek to push the envelope in terms of simulation efficiency and fidelity in computational molecular biology and drug discovery. He is the lead author of the GPU accelerated Molecular Dynamics (MD) Software, AMBER. This is currently the world's fastest all atom MD software package on commodity hardware and is used in thousands of research labs worldwide. Prof. Walker graduated Suma Cum Laude in Jul 2000 with a degree in Chemistry from Imperial College London. In Oct 2003 he completed a Ph.D. in computational chemistry under the guidance of Profs. Ian Gould and David Klug at Imperial College London before moving to The Scripps Research Institute in La Jolla, CA for a 2 year postdoctoral research fellowship under the guidance of Prof. David Case. Prof. Walker then joined the San Diego Supercomputer Center in March 2006 as biosciences lead of the strategic applications collaboration group before starting his own research group in Jan 2008. Prof. Walker was named a fellow of NVIDIA Inc in 2010 for his outstanding contributions to GPU computing, was a finalist in the ACS Emerging Technologies in Computational Chemistry competition in August 2010 and was awarded the ACS Outstanding Junior Faculty Award in March 2011


  • Molecular dynamics
  • Quantum chemistry
  • GPU accelerated computing