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We consider the dynamics of local entropy and nearest neighbor mutual information of a 1-D lattice of qubits via the repeated application of nearest neighbor CNOT quantum gates. This is a quantum version of a cellular automaton. We analyze…
Platinum is widely used as a pressure calibration standard. However, the established thermal EOS has uncertainties, especially in the high $P$-$T$ range. We use density functional theory to calculate the thermal equation of state of…
We study the thermodynamic behavior of a simple off-lattice model for protein folding. The model is two-dimensional and has two different ``amino acids''. Using numerical simulations of all chains containing eight or ten monomers, we…
Particles subject to weak contact interactions in a finite-size lattice tend to thermalise. The Hamiltonian evolution ensures energy conservation and the final temperature is fully determined by the initial conditions. In this work we show…
Scalar electrodynamics can be used to investigate the formation of cosmic strings in the early universe. We present the results of lattice Monte Carlo simulations of an effective three-dimensional U(1)+Higgs theory that describes the…
As highly tunable interacting systems, cold atoms in optical lattices are ideal to realize and observe negative absolute temperatures, T < 0. We show theoretically that by reversing the confining potential, stable superfluid condensates at…
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et…
The self- and mutual-avoiding walk used in conventional lattice models for polymeric systems requires that all lattice sites, polymer segments, and solvent molecules (unoccupied lattice sites) have the same volume. This incorrectly accounts…
Atmospheric systems incorporating thermal dynamics must be stable with respect to both energy and entropy. While energy conservation can be enforced via the preservation of the skew-symmetric structure of the Hamiltonian form of the…
We present an analysis of the relaxation dynamics of finite-size topological qubits in contact with a thermal bath. Using a continuous-time Monte Carlo method, we explicitly compute the low-temperature nonequilibrium dynamics of the toric…
We study transient thermal processes in infinite harmonic crystals with complex (polyatomic) lattice. Initially particles have zero displacements and random velocities such that distribution of temperature is spatially uniform. Initial…
We discuss ultra-cold Fermi gases in two dimensions, which could be realized in a strongly confining one-dimensional optical lattice. We obtain the temperature versus effective interaction phase diagram for an s-wave superfluid and show…
Entropy is a quantity for counting physical degrees of freedom in a system. At a finite temperature, one can use thermal entropy to study thermodynamical properties. At zero temperature, entanglement entropy is expected to provide a…
The thermodynamic stability of quantized vortex patterns in rotating Bose-Einstein condensates is assessed at finite temperature using complex Langevin sampling. We construct a temperature-rotation frequency phase diagram and find that that…
We consider a Landau-de Gennes model for a connected cubic lattice scaffold in a nematic host, in a dilute regime. We analyse the homogenised limit for both cases in which the lattice of embedded particles presents or not cubic symmetry and…
This paper presents a novel Differential Evolution algorithm for protein folding optimization that is applied to a three-dimensional AB off-lattice model. The proposed algorithm includes two new mechanisms. A local search is used to improve…
We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…
In the lattice approach to Loop Quantum Gravity on a fixed graph computations tend to be involved and are rarely analytically manageable. But, when interested in the expectation values of coherent states on the lattice which are sharply…
Using numerical simulations we study the configurations, dynamics, and melting properties of vortex lattices interacting with elliptical pinning sites at integer matching fields with as many as 27 vortices per pin. Our pinning model is…
Minimal Boltzmann kinetic models, such as lattice Boltzmann, are often used as an alternative to the discretization of the Navier-Stokes equations for hydrodynamic simulations. Recently, it was argued that modeling sub-grid scale phenomena…