Division/Committee: [PHYS] Division of Physical Chemistry

The detailed first-principles description of the ground and excited state electronic structure in molecules and solids is nominally associated with a high, often unsurmountable, computational cost. Practical approaches thus rely on introducing systematic approximations to the quantum many-body interaction terms. The perturbative treatments are limited to systems with weak or moderate electronic correlations. For other cases, the system is partitioned into a correlated subspace with reduced dimensionality, on which the remaining interactions are downfolded. Multiple complementary approaches exist to achieve such a complexity reduction. In recent years, various techniques have been explored and bridged distinct theoretical concepts and research fields. This symposium will feature theorists developing theoretical and computational many-body techniques at the intersection of disciplines, and it will discuss recent progress and challenges, ranging from methodologies for capturing correlation effects to embedding formulations that integrate these methodologies across various scales. This symposium will focus on conceptual and technical advances enabling the treatment of realistic molecular and solid-state systems.

Dr Vamsee Voora

Reader, Tata Institute of Fundamental Research

Appearances