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How to find us prof. dr. S.S. (Shirin) Faraji

Publications

Binding of azobenzene and p-diaminoazobenzene to the human voltage-gated sodium channel Nav1.4

Influence of the Environment on Shaping the Absorption of Monomeric Infrared Fluorescent Proteins

Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor

GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems

Order-disorder transition in supramolecular polymer combs/brushes with polymeric side chains

Pre-exascale accelerated application development: The ORNL Summit experience

PySurf: A Framework for Database Accelerated Direct Dynamics

Sesquicarbene Complexes: Bonding at the Interface Between M-C Single Bonds and M=C Double Bonds

Singlet fission in tetracene: An excited state analysis

The impact of anion elements on the engineering of the electronic and T optical characteristics of the two dimensional monolayer janus MoSSe for nanoelectronic device applications

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Press/media

AI reduces computational time required to study fate of molecules exposed to light

AI reduces computational time required to study fate of molecules exposed to light