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Understanding the intermolecular interactions and utilize these interactions to effectively control the transport behavior of single molecule is the key step from single molecule device to molecular circuits1-6. Although many single…

Mesoscale and Nanoscale Physics · Physics 2022-05-26 Xiao Guo , Qing Yang , Wei Yu , Qiuhao Zhu , Yuwen Cai , Wengang Lu , Sheng Meng , Wenjie Liang

Given a combinatorial structure, a ``twin'' is a pair of disjoint substructures which are isomorphic (or look the same in some sense). In recent years, there have been many problems about finding large twins in various combinatorial…

Combinatorics · Mathematics 2023-02-28 Zach Hunter

Tethered particle motion experiments are versatile single-molecule techniques enabling one to address in vitro the molecular properties of DNA and its interactions with various partners involved in genetic regulations. These techniques…

Biological Physics · Physics 2019-09-05 Manoel Manghi , Nicolas Destainville , Annaël Brunet

The rational design of molecules with desired properties is a long-standing challenge in chemistry. Generative neural networks have emerged as a powerful approach to sample novel molecules from a learned distribution. Here, we propose a…

Following excitation by a strong ultra-short laser pulse, molecules develop coordinated rotational motion, exhibiting transient alignment along the direction of the laser electric field, followed by periodic full and fractional revivals…

Quantum Physics · Physics 2007-05-23 Sharly Fleischer , Ilya. Sh. Averbukh , Yehiam Prior

Longslit spectroscopy is entering an era of increased spatial and spectral resolution and increased sample size. Improved instruments reveal complex velocity structure that cannot be described with a one-dimensional rotation curve, yet…

Ultrafast two-dimensional spectroscopy utilizes correlated multiple light-matter interactions for retrieving dynamic features that may otherwise be hidden under the linear spectrum. Its extension to the terahertz regime of the…

One of basic difficulties of machine learning is handling unknown rotations of objects, for example in image recognition. A related problem is evaluation of similarity of shapes, for example of two chemical molecules, for which direct…

Machine Learning · Computer Science 2018-01-04 Jarek Duda

Rescattering electrons offer great potential as probes of molecular properties on ultrafast timescales. The most famous example is molecular tomography, in which high harmonic spectra of oriented molecules are mapped to ``tomographic…

Atomic Physics · Physics 2016-09-28 Zachary B. Walters , Stefano Tonzani , Chris H. Greene

Precise measurement of the particle number, spatial distribution and internal state is fundamental to all proposed experiments with ultracold molecules both in bulk gases and optical lattices. Here, we demonstrate in-situ detection of…

Determining the complexity of molecules has important applications from molecular design to understanding the history of the process that led to the formation of the molecule. Currently, it is not possible to experimentally determine,…

We use quantum-logic spectroscopy (QLS) and interrogate rotational transitions of a single CaH+ ion with a highly coherent frequency comb, achieving a fractional statistical uncertainty for a transition line center of 4 x 10^-13. We also…

We analyze the simultaneous time-optimal control of two-spin systems. The two non coupled spins which differ in the value of their chemical offsets are controlled by the same magnetic fields. Using an appropriate rotating frame, we restrict…

Quantum Physics · Physics 2015-05-19 E. Assemat , M. Lapert , Y. Zhang , M. Braun , S. J. Glaser , D. Sugny

Mixed quantum/classical theory (MQCT) for the treatment of rotationally inelastic transitions during collisions of two identical molecules, described either as indistinguishable or distinguishable partners, is reviewed. The treatment of two…

Chemical Physics · Physics 2025-11-21 Dulat Bostan , Bikramaditya Mandal , Dmitri Babikov

Molecule property prediction is a fundamental problem for computer-aided drug discovery and materials science. Quantum-chemical simulations such as density functional theory (DFT) have been widely used for calculating the molecule…

Machine Learning · Computer Science 2019-11-26 Hiroyuki Shindo , Yuji Matsumoto

An RNA molecule is structured on several layers. The primary and most obvious structure is its sequence of bases, i.e. a word over the alphabet {A,C,G,U}. The higher structure is a set of one-to-one base-pairings resulting in a…

Data Structures and Algorithms · Computer Science 2007-05-23 Michael Brinkmeier

We introduce a new optical tool - a "two-dimensional optical centrifuge", capable of aligning molecules in extreme rotational states. Unlike the conventional centrifuge, which confines the molecules in the plane of their rotation, its…

Chemical Physics · Physics 2016-05-18 A. A. Milner , A. Korobenko , V. Milner

Determining the chemical structure for a single molecule on surface from spectroscopic data represents a challenging high-dimensional inverse problem. Tip-enhanced Raman spectroscopy (TERS) enables chemically specific imaging of single…

Chemical Physics · Physics 2026-03-24 Jie Cui , Yao Zhang , Yang Zhang , Yi Luo , Zhen-Chao Dong

Introduction: molecular geometry, the three-dimensional arrangement of atoms within a molecule, is fundamental to understanding chemical reactivity, physical properties, and biological activity. The prevailing models used to describe…

General Physics · Physics 2026-05-12 Sebastian Ali Sacasa-Cespedes

The recent progress towards production of near-ground state quantum-degenerate molecules raises the issue of how such "small" molecules behave in an optical lattice. In this Letter we show that the coupling of the molecular orientation to…

Other Condensed Matter · Physics 2007-07-09 J. R. Holt , J. M. F. Gunn