Hi everyone,
Professor Berkelbach from the University of Chicago will be visiting
Harvard next Thursday (March first) for THEOCHEM. His young research group
focuses on spectroscopy and electronic-structure methods such as
coupled-cluster, diagrammatic methods, with applications to materials (
http://berkelbachgroup.uchicago.edu/).
If you want to meet Prof. Berkelbach and have lunch or dinner with him,
please let me know.
His talk is next Wednesday at MIT, 4:15 pm at MIT building four room 163, you
can find the abstract is below.
Best,
Tere
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Quantum chemistry in nanoscale and solid-state materials
Density-functional theory and its descendants are the workhorse methods of
computational materials science, despite a number of now well-known
shortcomings. In a different direction, I will provide a broad overview of
systematically-improvable wavefunction-based methods for condensed-phase
electronic structure calculations. I will review the challenges of
electronic structure in bulk materials, touching on aspects of many-body
theory, diagrammatic techniques, and open-source software. With motivating
examples drawn from recent work on low-dimensional semiconductors, I will
describe our ongoing research agenda aimed at using deterministic methods
(especially coupled-cluster theory) and stochastic methods (quantum Monte
Carlo) for the accurate description of condensed-phase electronic
structure, excited-state properties, and spectroscopic observables.