WMD-LAB.ORG

The research focus of the Walker Molecular Dynamics (http://www.wmd-lab.org), based at the San Diego Supercomputer Center at the University of California San Diego, encompasses the fields of computational chemistry, molecular biology and high performance computing. The lab is particularly interested in the development of efficient algorithms parallel and GPU accelerated computation of Quantum Mechanical and hybrid Quantum/Molecular Mechanical (QM/MM) techniques as well as improvements in the computational efficiency and accuracy of classical MM dynamics simulations. The research also focuses on the use of MM and QM/MM Molecular Dynamics algorithms for the determination of physical and chemical properties of protein based systems.

Primary location: La Jolla United States