Related papers: Molecular chirality quantification: Tools and benc…
A QM/MM implementation for periodic systems is reported. This is done for the case of molecules and for systems with two and three-dimensional periodicity, which is suitable to model electrolytes in contact with electrodes. Tests on…
Chirality, the lack of inversion symmetry, is a geometrical property critical to chemistry, biology and material sciences. In the three-dimensional Euclidean space $\mathbb{R}^3$ chriality can ususally be characterized with four-point…
Electron chirality has been proposed as a microscopic quantity that characterizes electronic handedness, yet its underlying control parameter has not been clearly identified. Furthermore, its applicability is limited to systems with…
We use continuum theory to show that chirality is a key thermodynamic control parameter for the aggregation of biopolymers: chirality produces a stable disperse phase of hexagonal bundles under moderately poor solvent conditions, as has…
We introduce chiral rotational spectroscopy: a new technique that enables the determination of the orientated optical activity pseudotensor components $B_{XX}$, $B_{YY}$ and $B_{ZZ}$ of chiral molecules, in a manner that reveals the…
We investigate the statistical mechanics of chirality and biaxiality in liquid crystals through a variety of theoretical approaches, including Monte Carlo simulations, lattice mean-field theory, and Landau theory. All of these calculations…
A novel optical method for distinguishing chiral molecules is proposed and validated within a quantum simulator employing a trapped-ion qudit. This approach correlates the sign disparity of the dipole moment of chiral molecules with…
Conceptualizing planetary habitability depends on understanding how living organisms originated and what features of environments are essential to foster abiogenesis. Estimates of the abundance of life's building blocks are confounded by…
Chirality plays an important role in physics, chemistry, biology, and other fields. It describes an essential symmetry in structure. However, chirality invariants are usually complicated in expression or difficult to evaluate. In this…
Chiral solitons coupled with quarks in medium are studied based on the Wigner-Seitz approximation. The chiral quark soliton model is used to obtain the classical soliton solutions. To investigate nucleon and $\Delta$ in matter, the…
We have investigated multiple scattering of light in systems subject to magneto-chiral (MC) effects. Our medium consists of magneto-optically active dipoles placed in a chiral geometry under the influence of an external magnetic field. We…
Chiral discrimination that is efficient to tiny amounts of chiral substances, especially at the single-molecule level, is highly demanded. Here, we propose a single-shot nondestructive quantum sensing method addressing such an issue. Our…
Understanding the condensed-phase behavior of chiral molecules is important in biology, as well as in a range of technological applications, such as the manufacture of pharmaceuticals. Here, we use molecular dynamics simulations to study a…
It has been long recognized that the spatial polarization of the electronic clouds in molecules, and the spatial arrangements of atoms into chiral molecular structures, play crucial roles in physics, chemistry and biology. However, these…
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…
Metasurfaces, the two-dimensional analogues of metamaterials, are ideal platforms for sensing molecular chirality at the nanoscale, e.g. of inclusions of natural optically active molecules, as they offer large accessible areas (they are…
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…
Chiral molecules with broken parity symmetries can be modeled as quantum systems with cyclic-transition structures. By using these novel properties, we design two-step laser pulses to distinguish left- and right-handed molecules from the…
Chiral active matter is a variant of active matter systems in which the motion of the constituent particles violates mirror symmetry. In this letter, we simulate two-dimensional chiral Active Brownian Particles, the simplest chiral model in…
The bulk quantization method is used for regularizing a conventional four dimensional theory of massless fermions coupled to an external non-Abelian gauge field and for subsequently evaluating the associated Ward identity. As a result one…