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Bio
I am an early career PhD computational physicist with over 20 peer reviewed publications on topics ranging from molecular reactions and energetics to quantum control. My background is in modeling chemical systems involving organic and inorganic molecules in a variety of environments with many years of experience in computational and numerical analysis.
I currently have twenty published journal articles including two articles in Physical Review Letters. Since joining the Quantum Theory Project, I have been involved in research that has resulted in a well-cited article in Journal of Physical Chemistry on the longstanding problem of alkane folding as well as several articles discussing approximations for computing electronically excited states. Additionally, I collaborated with a group from the University of Florida Computer Science Department on a cross-disciplinary study of the infrared spectrum of solid hydrogen fluoride, which was published in Molecular Physics and required performing some of the largest calculations of their kind to date. Presently, I am the lead chemistry domain programmer and co-maintainer for the Aces4 massively parallel software project. I also have three years experience programming for and running programs on the Department of Defense HPC systems.
My current research focuses on three specific areas: development of quantum mechanical models that can describe bulk molecular systems of arbitrary size, understanding the physical processes important to condensed phase energetics and optical spectra, and the development of parallel computational software to perform necessary calculations. I have developed a new method based on intermolecular perturbation theory that allows the computation of electronic wavefunctions of nanoscale systems and have implemented this theory in the new massively parallel aces4 computational science software package. The continued development of the parallel aces4 software package was recently funded by a highly selective grant awarded by the Department of Defense High Performance Computing Modernization Program.
Research Interests
Papers共 63 篇Author StatisticsCo-AuthorSimilar Experts
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FRONTIERS IN VETERINARY SCIENCE (2023)
Frontiers in veterinary science (2023): 1147940-1147940
PHYSICAL REVIEW RESEARCHno. 2 (2020): 023163
arXiv (Cornell University) (2020)
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