Simulating coherent multidimensional spectroscopy of nonadiabatic molecular processes: From the infrared to the x-ray regime
Crossings of electronic potential energy surfaces in nuclear configuration space, known as
conical intersections, determine the rates and outcomes of a large class of photochemical …
conical intersections, determine the rates and outcomes of a large class of photochemical …
Cavity femtochemistry: Manipulating nonadiabatic dynamics at avoided crossings
M Kowalewski, K Bennett… - The journal of physical …, 2016 - ACS Publications
Molecular potential energy surfaces can be actively manipulated by light. This is usually
done by strong classical laser light but was recently demonstrated for the quantum field in an …
done by strong classical laser light but was recently demonstrated for the quantum field in an …
Attochemistry: Is controlling electrons the future of photochemistry?
Controlling matter with light has always been a great challenge, leading to the ever-
expanding field of photochemistry. In addition, since the first generation of light pulses of …
expanding field of photochemistry. In addition, since the first generation of light pulses of …
Pathways to new applications for quantum control
D Keefer, R de Vivie-Riedle - Accounts of Chemical Research, 2018 - ACS Publications
Conspectus In 1998, the first successful quantum control experiment with application to a
molecular framework was conducted with a shaped laser pulse, optimizing the branching …
molecular framework was conducted with a shaped laser pulse, optimizing the branching …
Catching conical intersections in the act: Monitoring transient electronic coherences by attosecond stimulated X-ray Raman signals
Conical intersections (CIs) dominate the pathways and outcomes of virtually all
photophysical and photochemical molecular processes. Despite extensive experimental and …
photophysical and photochemical molecular processes. Despite extensive experimental and …
High-dimensional multi-fidelity Bayesian optimization for quantum control
MF Lazin, CR Shelton, SN Sandhofer… - … Learning: Science and …, 2023 - iopscience.iop.org
We present the first multi-fidelity Bayesian optimization (BO) approach for solving inverse
problems in the quantum control of prototypical quantum systems. Our approach …
problems in the quantum control of prototypical quantum systems. Our approach …
Novel photochemistry of molecular polaritons in optical cavities
Violations of the Born-Oppenheimer approximation (BOA) and the consequent nonadiabatic
dynamics have long been an object of intense study. Recently, such dynamics have been …
dynamics have long been an object of intense study. Recently, such dynamics have been …
Harnessing deep reinforcement learning to construct time-dependent optimal fields for quantum control dynamics
We present an efficient deep reinforcement learning (DRL) approach to automatically
construct time-dependent optimal control fields that enable desired transitions in dynamical …
construct time-dependent optimal control fields that enable desired transitions in dynamical …
[图书][B] Chemical Theory Beyond the Born-Oppenheimer Paradigm: Nonadiabatic Electronic and Nuclear Dynamics in Chemical Reactions
K Takatsuka, Y Arasaki, T Yonehara, K Hanasaki - 2014 - books.google.com
This unique volume offers a clear perspective of the relevant methodology relating to the
chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges …
chemical theory of the next generation beyond the Born-Oppenheimer paradigm. It bridges …
Control of nuclear dynamics through conical intersections and electronic coherences
The effect of nuclear dynamics and conical intersections on electronic coherences is
investigated employing a two-state, two-mode linear vibronic coupling model. Exact …
investigated employing a two-state, two-mode linear vibronic coupling model. Exact …