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Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe–Salpeter Equation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-12, Vol.125 (49), p.10580-10592

2021

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Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water

The Journal of chemical physics, 2017-07, Vol.147 (1), p.014110-014110

2017

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Charge-transfer excited states in the donor/acceptor interface from large-scale GW calculations

The Journal of chemical physics, 2019-09, Vol.151 (11)

2019

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Manipulation of photosynthetic energy transfer by vibrational strong coupling

The Journal of chemical physics, 2024-01, Vol.160 (4)

2024

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Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach

Materials, 2020-06, Vol.13 (12), p.2728

2020

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Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria

Journal of the American Chemical Society, 2014-02, Vol.136 (5), p.2048-2057

2014

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Memory-Assisted Exciton Diffusion in the Chlorosome Light-Harvesting Antenna of Green Sulfur Bacteria

The journal of physical chemistry letters, 2012-09, Vol.3 (17), p.2357-2361

2012

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Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3‑b:2′3′‑f]thieno[3,2‑b]‑thiophene Thin Films: The Importance of Hole Delocalization

The journal of physical chemistry letters, 2016-04, Vol.7 (7), p.1374-1380

2016

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Ab Initio Study of Charge Separation Dynamics and Pump–Probe Spectroscopy in the P3HT/PCBM Blend

The journal of physical chemistry. B, 2023-09, Vol.127 (35), p.7615-7623

2023

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Fast Delocalization Leads To Robust Long-Range Excitonic Transfer in a Large Quantum Chlorosome Model

Nano letters, 2015-03, Vol.15 (3), p.1722-1729

2015

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Theoretical characterization of excitation energy transfer in chlorosome light-harvesting antennae from green sulfur bacteria

Photosynthesis research, 2014-06, Vol.120 (3), p.273-289

2014

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Linear-algebraic bath transformation for simulating complex open quantum systems

New journal of physics, 2014-12, Vol.16 (12), p.123008-16

2014

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Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2018-04, Vol.122 (15), p.3886-3898

2018

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A stochastic reorganizational bath model for electronic energy transfer

The Journal of chemical physics, 2014-06, Vol.140 (24), p.244103-244103

2014

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Accuracy of fragmentation in ab initio calculations of hydrated sodium cation

Chemical physics letters, 2009-08, Vol.478 (4), p.295-300

2009

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Development of the fragment-based COHSEX method for large and complex molecular systems

Physical review. B, 2018-11, Vol.98 (20), p.205140, Article 205140

2018

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Beat-frequency-resolved two-dimensional electronic spectroscopy: disentangling vibrational coherences in artificial fluorescent proteins with sub-10-fs visible laser pulses

Optics express, 2023-02, Vol.31 (4), p.6890-6906

2023

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Revisiting the Charge-Transfer States at Pentacene/C 60 Interfaces with the GW/Bethe-Salpeter Equation Approach

Materials, 2020-06, Vol.13 (12)

2020

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Effects of salt addition on strength and dynamics of hydrophobic interactions

Chemical physics letters, 2007-01, Vol.434 (1), p.42-48

2007

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Fragment molecular orbital calculations under periodic boundary condition

Chemical physics letters, 2011-04, Vol.506 (1-3), p.112-116

2011

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Thousand-atom ab initio calculations of excited states at organic/organic interfaces: toward first-principles investigations of charge photogeneration

Physical chemistry chemical physics : PCCP, 2018-11, Vol.20 (41), p.26443-26452

2018

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Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π-conjugated molecule

Organic electronics, 2017-10, Vol.49, p.53-63

2017

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A stochastic reorganizational bath model for electronic energy transfer

The Journal of chemical physics, 2014-06, Vol.140 (24)

2014

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Emulation of complex open quantum systems using superconducting qubits

Quantum information processing, 2017-02, Vol.16 (2), p.1-16, Article 44

2017

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Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3-b:2'3'-f ]thieno[3,2-b]-thiophene Thin Films: The Importance of Hole Delocalization

The journal of physical chemistry letters, 2016-03, Vol.7 (7)

2016

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Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe–Salpeter Equation

Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water

Charge-transfer excited states in the donor/acceptor interface from large-scale GW calculations

Manipulation of photosynthetic energy transfer by vibrational strong coupling

Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach

Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria

Memory-Assisted Exciton Diffusion in the Chlorosome Light-Harvesting Antenna of Green Sulfur Bacteria

Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3‑b:2′3′‑f]thieno[3,2‑b]‑thiophene Thin Films: The Importance of Hole Delocalization

Ab Initio Study of Charge Separation Dynamics and Pump–Probe Spectroscopy in the P3HT/PCBM Blend

Fast Delocalization Leads To Robust Long-Range Excitonic Transfer in a Large Quantum Chlorosome Model

Theoretical characterization of excitation energy transfer in chlorosome light-harvesting antennae from green sulfur bacteria

Linear-algebraic bath transformation for simulating complex open quantum systems

Development of the Fragment Molecular Orbital Method for Calculating Nonlocal Excitations in Large Molecular Systems

A stochastic reorganizational bath model for electronic energy transfer

Accuracy of fragmentation in ab initio calculations of hydrated sodium cation

Development of the fragment-based COHSEX method for large and complex molecular systems

Beat-frequency-resolved two-dimensional electronic spectroscopy: disentangling vibrational coherences in artificial fluorescent proteins with sub-10-fs visible laser pulses

Revisiting the Charge-Transfer States at Pentacene/C 60 Interfaces with the GW/Bethe-Salpeter Equation Approach

Effects of salt addition on strength and dynamics of hydrophobic interactions

Fragment molecular orbital calculations under periodic boundary condition

Thousand-atom ab initio calculations of excited states at organic/organic interfaces: toward first-principles investigations of charge photogeneration

Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π-conjugated molecule

A stochastic reorganizational bath model for electronic energy transfer

Emulation of complex open quantum systems using superconducting qubits

Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3-b:2'3'-f ]thieno[3,2-b]-thiophene Thin Films: The Importance of Hole Delocalization

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