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An extension of stochastic hierarchy equations of motion for the equilibrium correlation functions.

artículo científico publicado en 2017

Calculations of coherent two-dimensional electronic spectra using forward and backward stochastic wavefunctions

artículo científico publicado en 2018

Collaborative effect of plasmon-induced resonance energy and electron transfer on the interfacial electron injection dynamics of dye-sensitized solar cell

artículo científico publicado en 2019

Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors

scientific article published on 21 November 2019

Effect of an underdamped vibration with both diagonal and off-diagonal exciton-phonon interactions on excitation energy transfer

artículo científico publicado en 2018

Effect of charge-transfer states on the vibrationally resolved absorption spectra and exciton dynamics in ZnPc aggregates: Simulations from a non-Makovian stochastic Schrödinger equation

artículo científico publicado en 2020

Electroreduction Reaction Mechanism of Carbon Dioxide to C2 Products via Cu/Au Bimetallic Catalysis: A Theoretical Prediction

artículo científico publicado en 2020

From deep blue to green emitting and ultralong fluorescent copper(i) halide complexes containing dimethylthiophene diphosphine and PPh3 ligands

artículo científico publicado en 2019

Hierarchy of stochastic Schrödinger equation towards the calculation of absorption and circular dichroism spectra.

artículo científico publicado en 2017

Intersystem Crossing Rates of Isolated Fullerenes: Theoretical Calculations.

artículo científico publicado en 2017

Non-Markovian stochastic Schrödinger equation in k-space toward the calculation of carrier dynamics in organic semiconductors

artículo científico publicado en 2019

Perturbation expansions of stochastic wavefunctions for open quantum systems.

artículo científico publicado en 2017

Photophysical/Chemistry Properties of Distyryl-BODIPY Derivatives: An Experimental and Density Functional Theoretical Study

artículo científico publicado en 2018

Quantum Interference in Singlet Fission: J- and H-Aggregate Behavior.

artículo científico publicado en 2017

Recognition of PDL1/L2 by different induced-fit mechanisms of PD1: a comparative study of molecular dynamics simulations

scientific article published on 18 December 2019

Singlet/triplet exciton dissociation and charge recombination in donor-acceptor ThQs-C60 /PDIxCN2 complexes

artículo científico publicado en 2018

The dissociation and recombination rates of CH4 through the Ni(111) surface: The effect of lattice motion.

artículo científico publicado en 2017