Publications

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...

The Elements of Statistical Learning

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

The meaning and use of the area under a receiver operating characteristic (ROC) curve.

A representation and interpretation of the area under a receiver operating characteristic (ROC) curve obtained by the "rating" method, or by mathematical predictions based on pa...

Classification and Regression Trees.

Two-dimensional gas of massless Dirac fermions in graphene

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...

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

Search and clustering orders of magnitude faster than BLAST

Abstract Motivation: Biological sequence data is accumulating rapidly, motivating the development of improved high-throughput methods for sequence classification. Results: UBLAS...

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