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Density matrix dynamics in twin-formulation: An efficient methodology based on tensor-train representation of reduced equations of motion

The Journal of chemical physics, 2019-06, Vol.150 (23), p.234102-234102

Borrelli, Raffaele

2019

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Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach

The Journal of chemical physics, 2016-12, Vol.145 (22), p.224101-224101

2016

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Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space

The Journal of chemical physics, 2022-05, Vol.156 (19), p.194102-194102

2022

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Expanding the Range of Hierarchical Equations of Motion by Tensor-Train Implementation

The journal of physical chemistry. B, 2021-05, Vol.125 (20), p.5397-5407

2021

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Probing photoinduced proton coupled electron transfer process by means of two-dimensional resonant electronic–vibrational spectroscopy

The Journal of chemical physics, 2021-04, Vol.154 (14), p.144104-144104

2021

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Quantum dynamics of electronic transitions with Gauss-Hermite wave packets

The Journal of chemical physics, 2016-03, Vol.144 (11), p.114102-114102

2016

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Proton tunneling in a two-dimensional potential energy surface with a non-linear system–bath interaction: Thermal suppression of reaction rate

The Journal of chemical physics, 2020-06, Vol.152 (21), p.214114-214114

2020

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High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches

The Journal of chemical physics, 2024-05, Vol.160 (20)

2024

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Simulation of Quantum Dynamics of Excitonic Systems at Finite Temperature: an efficient method based on Thermo Field Dynamics

Scientific reports, 2017-08, Vol.7 (1), p.9127-9127, Article 9127

2017

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Finite temperature dynamics in a polarized sub-Ohmic heat bath: A hierarchical equations of motion-tensor train study

The Journal of chemical physics, 2024-04, Vol.160 (16)

2024

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Efficient quantum dynamics simulations of complex molecular systems: A unified treatment of dynamic and static disorder

The Journal of chemical physics, 2021-10, Vol.155 (13), p.134102-134102

2021

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Simulation of Nonlinear Femtosecond Signals at Finite Temperature via a Thermo Field Dynamics-Tensor Train Method: General Theory and Application to Time- and Frequency-Resolved Fluorescence of the Fenna–Matthews–Olson Complex

Journal of chemical theory and computation, 2021-07, Vol.17 (7), p.4316-4331

2021

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Effect of mixed Frenkel and charge transfer states in time-gated fluorescence spectra of perylene bisimides H-aggregates: Hierarchical equations of motion approach

The Journal of chemical physics, 2022-08, Vol.157 (8), p.084103-084103

2022

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Current-induced bond rupture in single-molecule junctions: Effects of multiple electronic states and vibrational modes

The Journal of chemical physics, 2023-07, Vol.159 (2)

2023

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Quantum dynamics of vibrational energy flow in oscillator chains driven by anharmonic interactions

New journal of physics, 2020-12, Vol.22 (12), p.123002

2020

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Tunable Redox Potential, Optical Properties, and Enhanced Stability of Modified Ferrocene-Based Complexes

ACS omega, 2019-09, Vol.4 (12), p.14780-14789

2019

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Absorption Band Shapes of a Push–Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-07, Vol.120 (28), p.5581-5589

2016

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Simulation of Time- and Frequency-Resolved Four-Wave-Mixing Signals at Finite Temperatures: A Thermo-Field Dynamics Approach

Journal of chemical theory and computation, 2021-07, Vol.17 (7), p.4359-4373

2021

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Theoretical and experimental determination of the absorption and emission spectra of a prototypical indolenine-based squaraine dye

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (6), p.239-2398

2014

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Transparent and Colorless Dye-Sensitized Solar Cells Exceeding 75% Average Visible Transmittance

JACS Au, 2021-04, Vol.1 (4), p.409-426

2021

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Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex

Physical chemistry chemical physics : PCCP, 2013-04, Vol.15 (16), p.5957-5966

2013

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Theoretical study of charge-transfer processes at finite temperature using a novel thermal Schrödinger equation

Chemical physics, 2018-11, Vol.515, p.236-241

Borrelli, Raffaele

2018

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Crossing Electronic States in the Franck–Condon Zone of Carbon Dioxide: A Five-Fold Closed Seam of Conical and Glancing Intersections

The journal of physical chemistry letters, 2012-11, Vol.3 (21), p.3223-3227

2012

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Tensor-Train Format Hierarchical Equations of Motion Formalism: Charge Transfer in Organic Semiconductors via Dissipative Holstein Models

Journal of chemical theory and computation, 2024-08

2024

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Dicyanovinyl and Cyano-Ester Benzoindolenine Squaraine Dyes: The Effect of the Central Functionalization on Dye-Sensitized Solar Cell Performance

Energies (Basel), 2016-07, Vol.9 (7), p.486-486

2016

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Density matrix dynamics in twin-formulation: An efficient methodology based on tensor-train representation of reduced equations of motion

Quantum electron-vibrational dynamics at finite temperature: Thermo field dynamics approach

Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space

Expanding the Range of Hierarchical Equations of Motion by Tensor-Train Implementation

Probing photoinduced proton coupled electron transfer process by means of two-dimensional resonant electronic–vibrational spectroscopy

Quantum dynamics of electronic transitions with Gauss-Hermite wave packets

Proton tunneling in a two-dimensional potential energy surface with a non-linear system–bath interaction: Thermal suppression of reaction rate

High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approaches

Simulation of Quantum Dynamics of Excitonic Systems at Finite Temperature: an efficient method based on Thermo Field Dynamics

Finite temperature dynamics in a polarized sub-Ohmic heat bath: A hierarchical equations of motion-tensor train study

Efficient quantum dynamics simulations of complex molecular systems: A unified treatment of dynamic and static disorder

Simulation of Nonlinear Femtosecond Signals at Finite Temperature via a Thermo Field Dynamics-Tensor Train Method: General Theory and Application to Time- and Frequency-Resolved Fluorescence of the Fenna–Matthews–Olson Complex

Effect of mixed Frenkel and charge transfer states in time-gated fluorescence spectra of perylene bisimides H-aggregates: Hierarchical equations of motion approach

Current-induced bond rupture in single-molecule junctions: Effects of multiple electronic states and vibrational modes

Quantum dynamics of vibrational energy flow in oscillator chains driven by anharmonic interactions

Tunable Redox Potential, Optical Properties, and Enhanced Stability of Modified Ferrocene-Based Complexes

Absorption Band Shapes of a Push–Pull Dye Approaching the Cyanine Limit: A Challenging Case for First Principle Calculations

Simulation of Time- and Frequency-Resolved Four-Wave-Mixing Signals at Finite Temperatures: A Thermo-Field Dynamics Approach

Theoretical and experimental determination of the absorption and emission spectra of a prototypical indolenine-based squaraine dye

Transparent and Colorless Dye-Sensitized Solar Cells Exceeding 75% Average Visible Transmittance

Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex

Theoretical study of charge-transfer processes at finite temperature using a novel thermal Schrödinger equation

Crossing Electronic States in the Franck–Condon Zone of Carbon Dioxide: A Five-Fold Closed Seam of Conical and Glancing Intersections

Tensor-Train Format Hierarchical Equations of Motion Formalism: Charge Transfer in Organic Semiconductors via Dissipative Holstein Models

Dicyanovinyl and Cyano-Ester Benzoindolenine Squaraine Dyes: The Effect of the Central Functionalization on Dye-Sensitized Solar Cell Performance

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