Publications
Explore 359 academic publications
Risk‐of‐bias VISualization (robvis): An R package and Shiny web app for visualizing risk‐of‐bias assessments
Despite a major increase in the range and number of software offerings now available to help researchers produce evidence syntheses, there is currently no generic tool for produ...
<i>CrystalExplorer</i>: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals
CrystalExplorer is a native cross-platform program supported on Windows, MacOS and Linux with the primary function of visualization and investigation of molecular crystal struct...
MetaboAnalyst 5.0: narrowing the gap between raw spectra and functional insights
Abstract Since its first release over a decade ago, the MetaboAnalyst web-based platform has become widely used for comprehensive metabolomics data analysis and interpretation. ...
First M87 Event Horizon Telescope Results. I. The Shadow of the Supermassive Black Hole
Abstract When surrounded by a transparent emission region, black holes are expected to reveal a dark shadow caused by gravitational light bending and photon capture at the event...
Carbon capture and storage (CCS): the way forward
Carbon capture and storage (CCS) is vital to climate change mitigation, and has application across the economy, in addition to facilitating atmospheric carbon dioxide removal re...
Bayesian phylogenetic and phylodynamic data integration using BEAST 1.10
The Bayesian Evolutionary Analysis by Sampling Trees (BEAST) software package has become a primary tool for Bayesian phylogenetic and phylodynamic inference from genetic sequenc...
ERA5-Land: a state-of-the-art global reanalysis dataset for land applications
Abstract. Framed within the Copernicus Climate Change Service (C3S) of the European Commission, the European Centre for Medium-Range Weather Forecasts (ECMWF) is producing an en...
Software update: The <scp>ORCA</scp> program system—Version 5.0
Abstract Version 5.0 of the ORCA quantum chemistry program suite was released in July 2021. ORCA 5.0 represents a major improvement over all previous versions of ORCA and featur...
Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism
The aim of this paper is to advocate the usefulness of the spin-density-functional (SDF) formalism. The generalization of the Hohenberg-Kohn-Sham scheme to and SDF formalism is ...
PhyloSuite: An integrated and scalable desktop platform for streamlined molecular sequence data management and evolutionary phylogenetics studies
Abstract Multigene and genomic data sets have become commonplace in the field of phylogenetics, but many existing tools are not designed for such data sets, which often makes th...