Related papers: Transferability and interpretability of vibrationa…
We present a quantum algorithm for calculating the vibronic spectrum of a molecule, a useful but classically hard problem in chemistry. We show several advantages over previous quantum approaches: vibrational anharmonicity is naturally…
Directional wavelet dictionaries are hierarchical representations which efficiently capture and segment information across scale, location and orientation. Such representations demonstrate a particular affinity to physical signals, which…
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrational structure of even small molecules is computationally…
We show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy axis and apply a matched filter on that…
We study the contributions of off-resonant transitions to the dynamics of a system of N multilevel atoms sharing one excitation and interacting with the quantized vector electromagnetic field. The Rotating Wave Approximation significantly…
Analysis of SFG vibrational spectra of OH stretching bands in four experimental configurations shows that orientational motion of water molecule at air/water interface is libratory within a limited angular range. This picture is…
Hypothesis: A broad range of phenomena, such as emulsification and emulsion stability, foam formation or liquid evaporation, are closely related to the dynamics of adsorbing colloidal particles. Elucidation of the mechanisms implied is key…
A globally-adaptive curvilinear coordinate formalism is shown to be easily convertible to a class of curvilinear transformations locally optimized around atom sites by a few parameters. Parameter transferability is established for a…
Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…
Molecular ions can be held in a chain of laser-cooled atomic ions by sympathetic cooling. This system is ideal for performing high-precision molecular spectroscopy with applications in astrochemistry and fundamental physics. Here we show…
Vibrational degrees of freedom in trapped-ion systems have recently been gaining attention as a quantum resource, beyond the role as a mediator for entangling quantum operations on internal degrees of freedom, because of the large available…
Recent years have seen an increased interest in the application of methods and techniques commonly associated with machine learning and artificial intelligence to spatial statistics. Here, in a celebration of the ten-year anniversary of the…
Translational invariance induced by pooling operations is an inherent property of convolutional neural networks, which facilitates numerous computer vision tasks such as classification. Yet to leverage rotational invariant tasks,…
Transformers have significantly advanced the field of natural language processing, but comprehending their internal mechanisms remains a challenge. In this paper, we introduce a novel geometric perspective that elucidates the inner…
In this paper, we consider a translating soliton for the mean curvature flow starting from a graph of a function on a domain in a unit sphere which is constant along each leaf of isoparametric foliation. First, we show that such a function…
Locally broken symmetries are used across fields to transport matter, particles and information in preferential directions. Beyond local mechanisms, spatially distributed nonlinearities in crystalline media have enabled non-reciprocal…
Symmetry is a powerful tool for understanding phases of matter in equilibrium. Quantum circuits with measurements have recently emerged as a platform for novel states of matter intrinsically out of equilibrium. Can symmetry be used as an…
A coordinate system is proposed that replaces the usual three-dimensional Cartesian x,y,z position coordinates, for use in robotic localization applications. Range, azimuth, and elevation measurement models become greatly simplified, and,…
For optimization models to be used in practice, it is crucial that users trust the results. A key factor in this aspect is the interpretability of the solution process. A previous framework for inherently interpretable optimization models…
We investigate the general relativistic phase of an electromagnetic wave as it propagates in the gravitational field of the Earth, which is modeled as an isolated, weakly aspherical gravitating body. We introduce coordinate systems to…