Publications

A pneumonia outbreak associated with a new coronavirus of probable bat origin

A Theory of Cognitive Dissonance

Leon Festinger's theory of cognitive dissonance has been widely recognized for its important and influential concepts in areas of motivation and social psychology. The theory of...

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

A new approach to the construction of first-principles pseudopotentials is described. The method allows transferability to be improved systematically while holding the cutoff ra...

Qualitative evaluation and research methods

PART ONE: CONCEPTUAL ISSUES IN THE USE OF QUALITATIVE METHODS The Nature of Qualitative Inquiry Strategic Themes in Qualitative Methods Variety in Qualitative Inquiry Theoretica...

<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...

The REDCap consortium: Building an international community of software platform partners

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

Cancer statistics, 2020

Abstract Each year, the American Cancer Society estimates the numbers of new cancer cases and deaths that will occur in the United States and compiles the most recent data on po...

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Cancer statistics, 2019

Abstract Each year, the American Cancer Society estimates the numbers of new cancer cases and deaths that will occur in the United States and compiles the most recent data on ca...