Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

This paper reports the release of PathSum, a new software suite of state-of-the-art path
integral methods for studying the dynamics of single or extended systems coupled to …

We use the quantum–classical path integral (QCPI) methodology to report numerically exact,
fully quantum mechanical results for the exciton-vibration dynamics in the …

A small matrix decomposition of the path integral expression (SMatPI) that yields the
reduced density matrix of a system interacting with a dissipative harmonic bath is obtained …

The discretized path integral expression for the reduced density matrix (RDM) of a system
interacting with a dissipative harmonic bath is fully entangled because of influence …

Excitation energy transfer (EET) is fundamental to many processes in chemical and
biological systems and carries significant implications for the design of materials suitable for …

Computational spectroscopy is becoming a mandatory tool for the interpretation of the
complex, and often congested, spectral maps delivered by modern non-linear multi-pulse …

Exploring excitation energy transfer (EET) in light-harvesting complexes (LHCs) is essential
for understanding the natural processes and design of highly-efficient photovoltaic devices …

The anharmonic small matrix path integral (anh-SMatPI) algorithm is adapted to composite
environments, where each anharmonic bath unit couples to the system and to its own …

In the previous work of Cotton and Miller [J. Chem. Phys. 145, 144108 (2016)], an improved
symmetrical quasi-classical (SQC) windowing model for the molecular dynamics treatment …