Related papers: An Improved CVM Entropy Functional for BCC Alloys
An entangled state is said to be $m$-uniform if the reduced density matrix of any $m$ qubits is maximally mixed. This is intimately linked to pure quantum error correction codes (QECCs), which allow not only to correct errors, but also to…
The Markov entropy decomposition (MED) is a recently-proposed, cluster-based simulation method for finite temperature quantum systems with arbitrary geometry. In this paper, we detail numerical algorithms for performing the required steps…
Low-order perturbation corrections to the electronic grand potential, internal energy, chemical potential, and entropy of a gas of noninteracting, identical molecules at a nonzero temperature are determined numerically as the…
We show that the vibrational entropy can play a crucial role in determining the equilibrium structure of clusters by constructing structural phase diagrams showing how the structure depends upon both size and temperature. These phase…
Mode-coupling theory (MCT) constitutes one of the few first-principles-based approaches to describe the physics of the glass transition, but the theory's inherent approximations compromise its accuracy in the activated glassy regime. Here…
Tailoring the performance of next-generation high entropy materials requires a deep understanding of the competition between entropy-driven random solid solution and enthalpy-driven chemical ordering. Investigating such order and disorder…
We investigate further the recent analysis \cite{R.Banerjee2}, based on a Hamilton-Jacobi type approach, to compute the temperature and entropy of black holes beyond the semiclassical approximation. It is shown how non spherically symmetric…
We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character…
We describe a novel method to obtain thermodynamic properties of quantum systems using Baysian Inference -- Maximum Entropy techniques. The method is applicable to energy values sampled at a discrete set of temperatures from Quantum Monte…
The paper analyzes the entropy of a system composed by non-interacting and indistinguishable particles whose quantum state numbers are modelled as independent and identically distributed classical random variables. The crucial observation…
By applying a genetic algorithm in a cascade approach of increasing accuracy, we calculate the composition and structure of MgMOx clusters at realistic temperatures and oxygen pressures. The stable and metastable systems are identified by…
Single-cell prototype drift chambers were built at TRIUMF and tested with a $\sim\unit[210]{MeV/c}$ beam of positrons, muons, and pions. A cluster-counting technique is implemented which improves the ability to distinguish muons and pions…
We simulate the dilute attractive Fermi-Hubbard model in the unitarity regime using a diagrammatic determinant Monte Carlo algorithm with worm-type updates. We obtain the dependence of the critical temperature on the filling factor $\nu$…
We investigate the properties of the intracluster medium (ICM) that forms within N-body/hydrodynamical simulations of galaxy clusters in a \LambdaCDM cosmology. When radiative cooling and a simple model for galactic feedback are included,…
This work introduces optimization strategies to continuous variable measurement based quantum computation (MBQC) at different levels. We provide a recipe for mitigating the effects of finite squeezing, which affect the production of cluster…
The correct calculation of formation enthalpy is one of the enablers of ab-initio computational materials design. For several classes of systems (e.g. oxides) standard density functional theory produces incorrect values. Here we propose the…
We introduce a multicomponent unitary coupled cluster framework for quantum simulations of molecular systems that incorporate both electronic and nuclear quantum effects beyond the Born-Oppenheimer approximation. Using the…
A method is proposed to approximate the unlimited subcritical set of Mayer`s reducible cluster integrals (i.e., the power coefficients of the known virial expansions for pressure and density in powers of activity) on the basis of…
Recently low-temperature structural transition has been reported for complex cubic compounds Cd6M (M=Ca, Yb, Y, rare earth) and it is believed that the transition is due to orientational ordering of an atomic shell in the icosahedral…
Measurement-based quantum computing (MBQC) is a promising alternative to traditional circuit-based quantum computing predicated on the construction and measurement of cluster states. Recent work has demonstrated that MBQC provides a more…