Related papers: Chiral Vibrational Modes in Small Molecules

Chirality, a pervasive phenomenon in nature, is widely studied across diverse fields including the origins of life, chemical catalysis, drug discovery, and physical optoelectronics. The investigations of natural chiral materials have been…

We study the dynamics of a chirality reversing active Brownian particle, which models the chirality reversing active motion common in many microorganisms and microswimmers. We show that, for such a motion, the presence of the two…

Many biological and synthetic materials self-assemble into helical or twisted aggregates. The shape is determined by a complex interplay between elastic forces and the orientation and chirality of the constituent molecules. We study this…

We study the motion of strongly inelastic particles in a narrow vibrating tube using molecular dynamics simulation. At low frequency of the vibration, we observe qualitative changes of the motion, as the depth of the pile increases. The…

Colloidal membranes, self assembled monolayers of aligned rod like molecules, offer a template for designing membranes with definite shapes and curvature, and possibly new functionalities in the future. Often the constituent rods, due to…

We propose a system to visualize the chirality of the protein in brains, which would be helpful to diagnose early neurological degenerative diseases in vivo. These neurological degenerative diseases often occur along with some mark…

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…

In this article we present a caracterization of the vibrational spectrum of the H5+ molecule using the correlation function quantum Monte Carlo (CFQMC) method and a genetic algorithm study of the topology of the potential energy surface…

The behavior of electromagnetic waves in chirally twisted structures is a topic of enduring interest, dating back at least to the invention in the 1940s of the microwave travelling wave tube amplifier and culminating in contemporary studies…

Molecular chirality is critical to biochemical function, but it is unknown when chiral selectivity first became important in the evolutionary transition from geochemistry to biochemistry during the emergence of life. Here, we identify key…

Motility is an essential factor for an organism's survival and diversification. With the advent of novel single-cell technologies, analytical frameworks and theoretical methods, we can begin to probe the complex lives of microscopic motile…

Chirality, an intrinsic handedness, is one of the most intriguing fundamental phenomena in nature. Materials composed of chiral molecules find broad applications in areas ranging from nonlinear optics and spintronics to biology and…

Chiral response is of tremendous importance to many fields, such as analytical chemistry, polarization manipulation and biological sensing. Here, a chiral metasurface based on rectangular holes is systematically investigated. The results…

Plasmonic chirality exhibits great potential for novel nanooptical devices due to the generation of a strong chiroptical response. Previous reports on plasmonic chirality explanations are mainly based on phase retardation and coupling. We…

In this talk I review studies of hadron properties in bosonized chiral quark models for the quark flavor dynamics. Mesons are constructed from Bethe--Salpeter equations and baryons emerge as chiral solitons. Such models require…

Liquid crystal mesophases of achiral molecules are normally achiral, yet in a few materials they spontaneously segregate and form right- and left-handed chiral domains. One mechanism that drives chiral segregation is molecular shape…

We study the localization of vibrational modes of frictionless granular media. We introduce a new method, motivated by earlier work on non-Hermitian quantum problems, which works well both in the localized regime where the localization…

Several methods are available to compute the anharmonicity in semi-rigid molecules. However, such methods are not routinely employed yet because of their large computational cost, especially for large molecules. The potential energy surface…

We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of…