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Materias / palabras clave: Partial differential equation; Nonlinear system; Artificial neural network; Context (archaeology); Inverse problem; Partial derivative; Computer science; Automatic differentiation; Applied mathematics; Physical law; Math...

Materias / palabras clave: Power analysis; Statistical power; Statistical analysis; Statistics; Power (physics); Computer science; Mathematics; Psychology; Econometrics; Physics; Quantum mechanics

Materias / palabras clave: Statistical power; Power analysis; Statistical analysis; Behavioural sciences; Power (physics); Psychology; Computer science; Statistics; Econometrics; Mathematics; Data science; Physics

Materias / palabras clave: Statistical power; Power analysis; Statistical analysis; Psychology; Computer science; Power (physics); Econometrics; Data science; Statistics; Mathematics; Physics; Quantum mechanics

Materias / palabras clave: Polymer physics; Scaling; Polymer; Physics; Polymer science; Statistical physics; Materials science; Nuclear magnetic resonance; Mathematics; Geometry

Materias / palabras clave: Communication theory; Computer science; Physics; Theoretical physics; Mathematics; Statistics

Abstract This paper discusses the applicability of statistics to a wide field of problems. Examples of simple and complex distributions are given.

A modification of the nudged elastic band method for finding minimum energy paths is presented. One of the images is made to climb up along the elastic band to converge rigorously on the highest saddle point. Also, varia...

One possible reason for the continued neglect of statistical power analysis in research in the behavioral sciences is the inaccessibility of or difficulty with the standard material. A convenient, although not comprehens...

A structure refinement method is described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the pow...

The authors present a new molecular dynamics algorithm for sampling the canonical distribution. In this approach the velocities of all the particles are rescaled by a properly chosen random factor. The algorithm is forma...

Finite systems of deterministic ordinary nonlinear differential equations may be designed to represent forced dissipative hydrodynamic flow. Solutions of these equations can be identified with trajectories in phase space...

We present a simple procedure to generate first-principles norm-conserving pseudopotentials, which are designed to be smooth and therefore save computational resources when used with a plane-wave basis. We found that the...

A general method, suitable for fast computing machines, for investigating such properties as equations of state for substances consisting of interacting individual molecules is described. The method consists of a modifie...

Various contracted Gaussian basis sets for atoms up to Kr are presented which have been determined by optimizing atomic self-consistent field ground state energies with respect to all basis set parameters, i.e., orbital ...

Materias / palabras clave: Bibliometrics; Field (mathematics); Data science; Resource (disambiguation); Computer science; Management science; Focus (optics); Library science; Engineering; Mathematics; Computer network; Physics

Following upon the general theory in Part I, a considerable simplification is here introduced in the treatment of the case where the grain centers of the new phase are randomly distributed. Also, the kinetics of the main...

The behaviour of Rogers's η parameter for enantiomorph-polarity estimation is examined theoretically and experimentally on simulated intensity data for seven well-assorted compounds. An alternative parameter x, based on...

An N⋅log(N) method for evaluating electrostatic energies and forces of large periodic systems is presented. The method is based on interpolation of the reciprocal space Ewald sums and evaluation of the resulting convol...

Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2021, Tutor: Josep Taron Roca

A method is given for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector. The integration can be over the entire Brillouin zone ...

A diagram has been devised that can provide a concise statistical summary of how well patterns match each other in terms of their correlation, their root‐mean‐square difference, and the ratio of their variances. Alth...

An unknown quantum state \ensuremath{\Vert}\ensuremath{\varphi}〉 can be disassembled into, then later reconstructed from, purely classical information and purely nonclassical Einstein-Podolsky-Rosen (EPR) correlations....

The connection between the elastic behaviour of an aggregate and a single crystal is considered, with special reference to the theories of Voigt, Reuss, and Huber and Schmid. The elastic limit under various stress system...