Speeding up quantum dissipative dynamics of open systems with kernel methods

10.33774/chemrxiv-2021-fgnrk-v2 ◽

2021 ◽

Author(s):

Arif Ullah ◽

Pavlo O. Dral

Keyword(s):

Machine Learning ◽

Kernel Methods ◽

Open Systems ◽

Learning Algorithm ◽

Computational Effort ◽

Time Dynamics ◽

Dissipative Dynamics ◽

Promising Tool ◽

Long Time ◽

Boson Model

The future forecasting ability of machine learning (ML) makes ML a promising tool for predicting long-time quantum dissipative dynamics of open systems. In this Article, we employ nonparametric machine learning algorithm (kernel ridge regression as a representative of the kernel methods) to study the quantum dissipative dynamics of the widely-used spin-boson model. Our ML model takes short-time dynamics as an input and is used for fast propagation of the long-time dynamics, greatly reducing the computational effort in comparison with the traditional approaches. Presented results show that the ML model performs well in both symmetric and asymmetric spin-boson models. Our approach is not limited to spin-boson model and can be extended to complex systems.

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Hyperbolic ring based formulation for thermo field dynamics, quantum dissipation, entanglement, and holography

The European Physical Journal C ◽

10.1140/epjc/s10052-020-8161-x ◽

2020 ◽

Vol 80 (7) ◽

Author(s):

R. Cartas-Fuentevilla ◽

J. Berra-Montiel ◽

O. Meza-Aldama

Keyword(s):

Quantum Dynamics ◽

Chemical Potential ◽

Open Systems ◽

Entanglement Entropy ◽

Internal Symmetry ◽

Quantum Dissipation ◽

Dissipative Dynamics ◽

Thermal Fields ◽

Symmetry Principles ◽

Inequivalent Representations

Abstract The classical and quantum formulations for open systems related to dissipative dynamics are constructed on a complex hyperbolic ring, following universal symmetry principles, and considering the double thermal fields approach for modeling the system of interest, and the environment. The hyperbolic rotations are revealed as an underlying internal symmetry for the dissipative dynamics, and a chemical potential is identified as conjugate variable to the charge operator, and thus a grand partition function is constructed. As opposed to the standard scheme, there are not patologies associated with the existence of many unitarity inequivalent representations on the hyperbolic ring, since the whole of the dissipative quantum dynamics is realized by choosing only one representation of the field commutation relations. Entanglement entropy operators for the subsystem of interest and the environment, are constructed as a tool for study the entanglement generated from the dissipation. The holographic perspectives of our results are discussed.

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MODELLING AND CONTROL OF OPEN SYSTEMS

Engineering Research technical reports ◽

10.32426/engresv7n1-001 ◽

2016 ◽

Vol 7 (1) ◽

pp. 1-19

Author(s):

Neto José Alves da Silva ◽

◽

Giacaglia Giorgio Eugenio Oscare ◽

Lamas Wendell de Queiroz ◽

Bargos Fabiano Fernandes ◽

...

Keyword(s):

Open Systems ◽

And Control

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Phase equilibria in partially open systems under pressure: the decomposition of stoichiometric GeO2 oxide

Uspekhi Fizicheskih Nauk ◽

10.3367/ufnr.0173.200312f.1359 ◽

2003 ◽

Vol 173 (12) ◽

pp. 1359 ◽

Cited By ~ 3

Author(s):

Vadim V. Brazhkin ◽

Roman N. Voloshin ◽

A.G. Lyapin ◽

Svetlana V. Popova

Keyword(s):

Phase Equilibria ◽

Open Systems

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Catastrophe Theory in Explaining Price Dynamics on the Real Estate Market

Real Estate Management and Valuation ◽

10.2478/remav-2013-0026 ◽

2013 ◽

Vol 21 (3) ◽

pp. 51-61 ◽

Cited By ~ 7

Author(s):

Mirosław Belej

Keyword(s):

Real Estate ◽

Catastrophe Theory ◽

Open Systems ◽

Real Estate Market ◽

Sensitivity Threshold ◽

State Variables ◽

The Real ◽

The Real Estate ◽

The Real Estate Market ◽

External Stimuli

Abstract The real estate market is an open system, which implies that it is able to exchange signals with other open systems and dynamic systems. The evolution of a market system over time can be described mathematically. If the system's sensitivity threshold to external stimuli is exceeded, it becomes destabilized and moves from a near-balanced state to a state that is far from equilibrium. Those dynamic processes often induce key changes in the system's trajectory of evolution. In search of equilibrium, the system becomes transformed in a process of discontinuous and discrete changes in state variables. The above statement constitutes the research hypothesis in this article. In this study, an attempt was made to develop a mathematical model for visualizing the evolutionary path of the real estate market in the form of continuous changes interrupted by discontinuous changes. The qualitative transformation of the system will be evaluated with the use of the catastrophe theory.

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Regioselective Gas-Phase n-Butane Transfer Dehydrogenation via Silica-Supported Pincer-Iridium Complexes

10.26434/chemrxiv.12885491.v1 ◽

2020 ◽

Author(s):

Boris Sheludko ◽

Cristina Castro ◽

Chaitanya Khalap ◽

Thomas Emge ◽

Alan Goldman ◽

...

Keyword(s):

Gas Phase ◽

Active Site ◽

Lower Cost ◽

Open Systems ◽

Iridium Complexes ◽

Terminal Olefin ◽

Molecular Precursors ◽

Sterically Demanding ◽

Olefin Production ◽

Steam Cracking

Abstract: The production of olefins via on-purpose dehydrogenation of alkanes allows for a more efficient, selective and lower cost alternative to processes such as steam cracking. Silica-supported pincer-iridium complexes of the form [(≡SiO-R4POCOP)Ir(CO)] (R4POCOP = κ3-C6H3-2,6-(OPR2)2) are effective for acceptorless alkane dehydrogenation, and have been shown stable up to 300 °C. However, while solution-phase analogues of such species have demonstrated high regioselectivity for terminal olefin production under transfer dehydrogenation conditions at or below 240 °C, in open systems at 300 °C, regioselectivity under acceptorless dehydrogenation conditions is consistently low. In this work, complexes <a>[(≡SiO-tBu4POCOP)Ir(CO)] </a>(1) and [(≡SiO-iPr4PCP)Ir(CO)] (2) were synthesized via immobilization of molecular precursors. These complexes were used for gas-phase butane transfer dehydrogenation using increasingly sterically demanding olefins, resulting in observed selectivities of up to 77%. The results indicate that the active site is conserved upon immobilization.

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