معرفی
Dr. Tjerk P. Straatsma serves as an Adjunct Professor in the Department of Chemistry at the University of Alabama and holds the position of Distinguished Research Scientist at Oak Ridge National Laboratory (ORNL). At ORNL, he manages the Scientific Computing group within the National Center for Computational Sciences, which operates the Oak Ridge Leadership Computing Facility—the home of the United States' most powerful supercomputer for open science.
His research expertise lies in computational chemistry and high-performance computing, with a focus on developing advanced simulation methods for chemical and biomolecular systems. Dr. Straatsma has pioneered techniques for atomic-level modeling of microbial membrane processes, material transport, and complex enzymatic reactions involving electron and proton transfers. His work bridges theoretical chemistry, computer science, and applications in geochemistry and biochemistry.
Recent publications highlight his leadership in non-orthogonal configuration interaction methods and fragment-based approaches for quantum chemistry, particularly applied to singlet fission phenomena and electronic coupling calculations. These studies leverage cutting-edge high-performance computing architectures to address challenges in energy conversion and materials science.
Dr. Straatsma collaborates extensively with Prof. David A. Dixon on projects including an Energy Frontiers Research Center investigating acid gas absorption in metal-organic frameworks and an INCITE project dedicated to actinide chemistry. He has directed the development of the NWChem computational chemistry software suite and currently oversees scientific computing initiatives at ORNL that support thousands of researchers nationwide.
