This review focuses on recent developments in the field of nonadiabatic molecular dynamics
(NA-MD), with particular attention given to condensed-matter systems. NA-MD simulations …

Organic light-emitting transistors (OLETs) are multifunctional optoelectronic devices that
combine in a single structure the advantages of organic light-emitting diodes (OLEDs) and …

Förster Resonance Energy Transfer Calculator (FRET− Calc) is a program and web server
that analyzes molar extinction coefficient of the acceptor, emission spectrum of the donor …

Abstract Photoluminescence Quenching Simulator (PLQ− Sim) is a user− friendly software to
study the photoexcited state dynamics at the interface between two organic semiconductors …

Using a recently developed many-body nonadiabatic molecular dynamics (NA-MD)
framework for large condensed matter systems, we study the phonon-driven nonradiative …

The refractive index of an optical medium is essential for studying a variety of physical
phenomena. One useful method for determining the refractive index of scalar materials (ie …

Abstract Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising
approach to providing quantum‐enabled solutions for systems treated within the purview of …

Since the first application of frontier molecular orbitals (FMOs) to rationalize stereospecificity
of pericyclic reactions, FMOs have remained at the forefront of chemical theory. Yet, the …

Abstract The Transfer Matrix Method (TMM) has become a prominent tool for the optical
simulation of thin− film solar cells, particularly among researchers specializing in organic …

Small organic molecules have emerged as promising component materials for organic
photovoltaic devices. Compared to most conjugated polymers for the same application …