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Journal Articles

Splitting probabilities as optimal controllers of rare reactive events

Aditya N. Singh, David T. Limmer
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 054113 (2024)
https://doi.org/10.1063/5.0203840
Published: August 2024
View article titled, Splitting probabilities as optimal controllers of rare reactive events
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Journal Articles

Quantum gate control of polar molecules with machine learning

Zuo-Yuan Zhang, Jie-Ru Hu, Yu-Yan Fang, Jin-Fang Li, Jin-Ming Liu, Xinning Huang, Zhaoxi Sun
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 034102 (2024)
https://doi.org/10.1063/5.0216013
Published: July 2024
View article titled, Quantum gate control of polar molecules with machine learning
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Journal Articles

Cycling and spiral-wave modes in an active cyclic Potts model

Hiroshi Noguchi, Frédéric van Wijland, Jean-Baptiste Fournier
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 025101 (2024)
https://doi.org/10.1063/5.0221050
Published: July 2024
View article titled, Cycling and spiral-wave modes in an active cyclic Potts model
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Journal Articles

Fast-forwarding molecular ground state preparation with optimal control on analog quantum simulators

Davide Castaldo, Marta Rosa, Stefano Corni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 014105 (2024)
https://doi.org/10.1063/5.0204618
Published: July 2024
View article titled, Fast-forwarding molecular ground state preparation with optimal control on analog quantum simulators
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Journal Articles

Phase separation in the presence of fractal aggregates

Supriyo Ghosh, Jack F. Douglas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 104903 (2024)
https://doi.org/10.1063/5.0190196
Published: March 2024
View article titled, Phase separation in the presence of fractal aggregates
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Includes: Supplementary data
Journal Articles

Optimal control of N–H photodissociation of pyridinyl

Mohammed Alamgir, Susanta Mahapatra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074303 (2024)
https://doi.org/10.1063/5.0188633
Published: February 2024
View article titled, Optimal control of N–H photodissociation of pyridinyl
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Journal Articles

Shaping the laser control landscape of a hydrogen transfer reaction by vibrational strong coupling. A direct optimal control approach

A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank, O. Kühn
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074101 (2024)
https://doi.org/10.1063/5.0193502
Published: February 2024
View article titled, Shaping the laser control landscape of a hydrogen transfer reaction by vibrational strong coupling. A direct optimal control approach
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Includes: Supplementary data
Journal Articles

Dense random packing of disks with a power-law size distribution in thermodynamic limit

Alexander Yu. Cherny, Eugen M. Anitas, Artem A. Vladimirov, Vladimir A. Osipov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 024107 (2024)
https://doi.org/10.1063/5.0177530
Published: January 2024
View article titled, Dense random packing of disks with a power-law size distribution in thermodynamic limit
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Journal Articles

Simulation of quantum walks on a circle with polar molecules via optimal control

Yi-Kai Ding, Zuo-Yuan Zhang, Jin-Ming Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 204303 (2023)
https://doi.org/10.1063/5.0174472
Published: November 2023
View article titled, Simulation of quantum walks on a circle with polar molecules via optimal control
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Journal Articles

An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system

Josep Maria Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Ariño, Ibério de P. R. Moreira, Guillermo Albareda
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 114112 (2023)
https://doi.org/10.1063/5.0167749
Published: September 2023
View article titled, An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system
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Journal Articles

Inhomogeneous steady shear dynamics of a three-body colloidal gel former

Florian Sammüller, Daniel de las Heras, Matthias Schmidt
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 054908 (2023)
https://doi.org/10.1063/5.0130655
Published: February 2023
View article titled, Inhomogeneous steady shear dynamics of a three-body colloidal gel former
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Includes: Supplementary data
Journal Articles

Optimization of non-equilibrium self-assembly protocols using Markov state models

Anthony Trubiano, Michael F. Hagan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 244901 (2022)
https://doi.org/10.1063/5.0130407
Published: December 2022
View article titled, Optimization of non-equilibrium self-assembly protocols using Markov state models
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Journal Articles

Time-correlation functions for odd Langevin systems

Kento Yasuda, Kenta Ishimoto, Akira Kobayashi, Li-Shing Lin, Isamu Sou, Yuto Hosaka, Shigeyuki Komura
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 095101 (2022)
https://doi.org/10.1063/5.0095969
Published: September 2022
View article titled, Time-correlation functions for odd Langevin systems
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Journal Articles

Physics-informed graph neural networks enhance scalability of variational nonequilibrium optimal control

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Jiawei Yan (闫嘉伟), Grant M. Rotskoff
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074101 (2022)
https://doi.org/10.1063/5.0095593
Published: August 2022
View article titled, Physics-informed graph neural networks enhance scalability of variational nonequilibrium optimal control
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Journal Articles

Influence of network defects on the conformational structure of nanogel particles: From “closed compact” to “open fractal” nanogel particles

Alexandros Chremos, Ferenc Horkay, Jack F. Douglas
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 094903 (2022)
https://doi.org/10.1063/5.0072274
Published: March 2022
View article titled, Influence of network defects on the conformational structure of nanogel particles: From “closed compact” to “open fractal” nanogel particles
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Journal Articles

Optimal control of photodissociation of phenol using genetic algorithm

Nitai Giri, S. Mahapatra
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 094305 (2022)
https://doi.org/10.1063/5.0081282
Published: March 2022
View article titled, Optimal control of photodissociation of phenol using genetic algorithm
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Journal Articles

The onset of dissipative chaos driven by nonequilibrium conditions

Feng Zhang, Jin Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 024103 (2022)
https://doi.org/10.1063/5.0072294
Published: January 2022
View article titled, The onset of dissipative chaos driven by nonequilibrium conditions
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Journal Articles

Percolation of rigid fractal carbon black aggregates

Fabian Coupette, Long Zhang, Björn Kuttich, Andrei Chumakov, Stephan V. Roth, Lola González-García, Tobias Kraus, Tanja Schilling
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 124902 (2021)
https://doi.org/10.1063/5.0058503
Published: September 2021
View article titled, Percolation of rigid fractal carbon black aggregates
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Journal Articles

Dynamical attributes of nanocatalyzed self-oscillating reactions via bifurcation analyses

Vandana Rajput, Pratyush Dayal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064902 (2021)
https://doi.org/10.1063/5.0060509
Published: August 2021
View article titled, Dynamical attributes of nanocatalyzed self-oscillating reactions via bifurcation analyses
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Includes: Supplementary data
Journal Articles

Feedback control of protein aggregation

Alexander J. Dear, Thomas C. T. Michaels, Tuomas P. J. Knowles, L. Mahadevan
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 064102 (2021)
https://doi.org/10.1063/5.0055925
Published: August 2021
View article titled, Feedback control of protein aggregation
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Includes: Supplementary data