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Rigorous quantum calculations for atom-molecule chemical reactions in electric fields: from single to multiple partial wave regimes
Timur V. Tscherbul, Roman V. Krems
We present an efficient method for rigorous quantum calculations of cross sections for atom-molecule reactive scattering in the presence of a dc electric field. The wavefunction of…
Neural network ensemble for computing cross sections for rotational transitions in HO + HO collisions
Bikramaditya Mandal, Dmitri Babikov, Phillip C. Stancil +3
Water (HO) is one of the most abundant molecules in the universe and is found in a wide variety of astrophysical environments. Rotational transitions in HO + HO collisi…
Echoes in a parametrically perturbed Kerr-nonlinear oscillator
Yun-Wen Mao, Ilia Tutunnikov, Roman V. Krems +1
We study classical and quantum echoes in a Kerr oscillator driven by a frequency-controlling pulsed perturbation. We consider dynamical response to the perturbation for a single co…
Invariance of quantum scattering rate coefficients to anisotropy of atom-molecule interactions
Xuyang Guo, Kirk W. Madison, James L. Booth +1
Quantum scattering calculations for strongly interacting molecular systems are computationally demanding due to the large number of molecular states coupled by the anisotropy of at…
Molecular representations of quantum circuits for quantum machine learning
Elham Torabian, Roman V. Krems
We establish an isomorphism between quantum circuits and a subspace of polyatomic molecules, which suggests that molecules can be used as descriptors of quantum circuits for quantu…
Lattice stitching by eigenvector continuation for Holstein polaron
Elham Torabian, Roman V. Krems
Simulations of lattice particle - phonon systems are fundamentally restricted by the exponential growth of the number of quantum states with the lattice size. Here, we demonstrate…