Publications

<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium

We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-tem...

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Generalized gradient approximations (GGA’s) seek to improve upon the accuracy of the local-spin-density (LSD) approximation in electronic-structure calculations. Perdew and Wang...

Comparing the Areas under Two or More Correlated Receiver Operating Characteristic Curves: A Nonparametric Approach

Methods of evaluating and comparing the performance of diagnostic tests are of increasing importance as new tests are developed and marketed. When a test is based on an observed...

Two-dimensional gas of massless Dirac fermions in graphene

Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

We measured the elastic properties and intrinsic breaking strength of free-standing monolayer graphene membranes by nanoindentation in an atomic force microscope. The force-disp...

When to use and how to report the results of PLS-SEM

Purpose The purpose of this paper is to provide a comprehensive, yet concise, overview of the considerations and metrics required for partial least squares structural equation m...

Generative Adversarial Nets

Racialized or ethnically marginalized groups typically have strong loyalties to particular political parties, but can these group loyalties be undermined? In this paper, I inves...

PLS-SEM: Indeed a Silver Bullet

Structural equation modeling (SEM) has become a quasi-standard in marketing and management research when it comes to analyzing the cause-effect relations between latent construc...

Polymorphic transitions in single crystals: A new molecular dynamics method

A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stre...

Array programming with NumPy

Array programming provides a powerful, compact and expressive syntax for accessing, manipulating and operating on data in vectors, matrices and higher-dimensional arrays. NumPy ...

A global reference for human genetic variation

Welcome to the Tidyverse

RESUMENEvaluación del efecto de un curso nivelatorio de matemáticas en educación superior: el caso de Matemáticas Básicas La investigación evalúa los efectos de tomar un curso d...