Computational Sciences Postdoctoral Fellow
Computational Research Division
Brandon Krull, Ph.D.
Lawrence Berkeley National Lab
1 Cyclotron Rd.
Berkeley, CA 94720
Brandon is a postdoctoral researcher in the Center for Computational Sciences and
Engineering (CCSE) in the Computational Research Division of the Computing Sciences
Directorate at the Lawrence Berkeley National Laboratory.
Brandon received his doctorate in chemistry in late 2015 from the University of California Irvine. His dissertation
focused on developing quantum chemistry tools and applying them to chemical
problems including the design of in vivo imaging candidates based on the
machinery found in fireflies and the reactivity of transition metal,
lanthanide, and actinide compounds. Brandon joined CCSE in January 2017.
- Density functional theory, time-dependent density functional theory
- High-performance algorithm design, implementation
- Non-adiabatic dynamics of photochemical systems
- Transition- and heavy-metal reactivity
- Machine learning in quantum chemistry
- Accelerating molecular property calculations with nonorthonormal Krylov space methods
F Furche, BT Krull, BD Nguyen, J Kwon
The Journal of Chemical Physics 144 (17), 174105, 2016.
- Structural, spectroscopic, and theoretical comparison of traditional vs recently discovered Ln2+ ions in the [K (2.2. 2-cryptand)][(C5H4SiMe3) 3Ln] complexes: the variable nature of Dy2+ and Nd2+
ME Fieser, MR MacDonald, BT Krull, JE Bates, JW Ziller, F Furche, WE Evans
Journal of the American Chemical Society 137 (1), 369-382, 2014.