[Aspuru-Guzik Group List] Visit of Prof. Ed Valeev - April 5th THEOCHEM
by Romero Fontalvo, Jhonathan
Hi everyone,
Prof. Ed Valeev from Virginia Tech is visiting on Thursday morning, next
week, for THEOCHEM. Prof. Valeev specializes in developing and implementing
electronic structure methods, specifically explicitly correlated
approaches, non-Born-Oppenheimer methods for treating nuclei as quantum
particles, charge transfer in organic materials and devices and development
of advanced software for electronic structure (
https://valeevgroup.github.io/Publication/).
Unfortunately, he will be visiting only during the morning of Thursday, so
there are limited spots. Please let me know if you are interested in meeting
him or/and having lunch with him.
I also attach the abstract of his talk that will take on Wednesday, April
4th, 4:15pm, at MIT:
*Reduced-scaling many-body electronic structure: old ideas that really
work.*
*I will review recent progress in reduced-scaling electronic structure
methodology. Many-body electronic structure methods, like coupled-cluster
in chemistry and Green's function methods in solid state physics, are
capable of significantly higher accuracy than the density functional
theory, but their application is hindered by their significantly higher
computational cost. Recent rapid advances in reduced-scaling formulation of
the coupled-cluster and other many-body theories, in combination with
numerical regularization of Coulomb Hamiltonian singularities, reduces or
eliminates the cost gap between the many-body methodology and DFT. I will
review the key ideas (most of them quite old) behind the modern
reduced-scaling electronic structure methods that allow to expose and
utilize the sparsity of the electronic wave function, and discuss some of
our recent work in this area.*
Cheers,
Jhonathan.
--
Jonathan Romero Fontalvo
*Ph.D. Student in Chemical Physics*
*Harvard University*
Website: https://sites.google.com/site/jonathanromeroswebsite/