Related papers: Intra-molecular refrigeration in enzymes
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
Cooling processes in nature are typically generated by external contact with a cold reservoir or bath. According to the laws of thermodynamics, the final temperature of a system is determined by the temperature of the environment. Here, we…
A fundamental challenge in quantum thermodynamics is the exploration of inherent dimensional constraints in thermodynamic machines. In the context of two-level systems, the most compact refrigerator necessitates the involvement of three…
We present a rigorous study of vibrational relaxation in p-H2 + p-H2 collisions at cold and ultracold temperatures and identify an efficient mechanism of ro-vibrational energy transfer. If the colliding molecules are in different rotational…
Folding kinetics of a lattice model of protein is studied. It uses the Random Energy Model for the intrachain couplings and a temperature dependent free energy of solvation derived from a realistic hydration model of apolar solutes. The…
We present detailed discussions of cooling and trapping mechanisms for an atom in an optical trap inside an optical cavity, as relevant to recent experiments. The interference pattern of cavity QED and trapping fields in space makes the…
Biology stores information and computes at the molecular scale, yet the ways in which it does so are often distinct from human-engineered computers. Mapping biological computation onto architectures familiar to computer science remains an…
We briefly introduce the formalism for describing dipolar molecules in an ultracold gaseous environment. This treatment includes the quantum mechanical states of the dipoles, the electric fields they produce, and their interactions with one…
Biomolecular condensates are small droplets forming spontaneously in biological cells via phase separation. They play a role in many cellular processes, but it is unclear how cells control them. Cellular regulation often relies on…
We propose a laser cooling concept for the translational motion of molecules which does not require repeated spontaneous emission by each molecule. The cooling works by repetition of three main steps: velocity selection of a narrow momentum…
We compare the efficiencies of two optical cooling schemes, where a single particle is either inside or outside an optical cavity, under experimentally-realisable conditions. We evaluate the cooling forces using the general solution of a…
The term `laser cooling' is applied to the use of optical means to cool the motional energies of either atoms and molecules, or micromirrors. In the literature, these two strands are kept largely separate; both, however suffer from severe…
Cells generally convert nutrient resources to useful products via energy transduction. Accordingly, the thermodynamic efficiency of this conversion process is one of the most essential characteristics of living organisms. However, although…
We consider how trapped molecules can be sympathetically cooled by ultracold atoms. As a prototypical system, we study LiH molecules co-trapped with ultracold Li atoms. We calculate the elastic and inelastic collision cross sections of LiH…
Large molecules have complex potential-energy surfaces with many local minima. They exhibit multiple stereo-isomers, even at very low temperatures. In this paper we discuss the different approaches for the manipulation of the motion of…
The cooling effects of a quantum LC circuit coupled inductively with an ensemble of artificial qubits are investigated. The particles may decay independently or collectively through their interaction with the environmental vacuum…
Novel physical mechanism is proposed for explanation of temperature-independent transition reactions in molecular systems. The mechanism becomes effective in the case of conformation transitions between quasi-isoenergetic molecular states.…
The model quantum system of fermions in a one dimensional harmonic oscillator potential is investigated by a molecular dynamics method at constant temperature. Although in quantum mechanics the equipartition theorem cannot be used like in…
Current-induced magnetic switching of a single magnetic molecule attached to two ferromagnetic contacts is considered theoretically, with the main emphasis put on the role of intrinsic spin relaxation processes. It is shown that…
The mechanisms of physical and chemical interactions of low temperature plasmas with surfaces can be fruitfully explored using molecular dynamics (MD) simulations. MD simulations follow the detailed motion of sets of interacting atoms…