Publications (10)
Crystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms
Matthew Horton, Jimmy-Xuan Shen, Jordan Burns +21
Crystal Toolkit is an open source tool for viewing, analyzing and transforming crystal structures, molecules and other common forms of materials science data in an interactive way.…
User Applications Driven by the Community Contribution Framework MPContribs in the Materials Project
Patrick Huck, Dan Gunter, Shreyas Cholia +3
This work discusses how the MPContribs framework in the Materials Project (MP) allows user-contributed data to be shown and analyzed alongside the core MP database. The Materials P…
2DMatPedia: An open computational database of two-dimensional materials from top-down and bottom-up approaches
Jun Zhou, Lei Shen, Miguel Dias Costa +6
Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic d…
Beam Energy Dependence of Dielectron Production in Au+Au Collisions from STAR at RHIC
Patrick Huck
Enabled by the addition of a TOF detector system in 2010, the first phase of the Beam Energy Scan (BES-I) at RHIC allows STAR to conduct an unprecedented energy-dependent study of…
A Community Contribution Framework for Sharing Materials Data with Materials Project
Patrick Huck, Anubhav Jain, Dan Gunter +2
As scientific discovery becomes increasingly data-driven, software platforms are needed to efficiently organize and disseminate data from disparate sources. This is certainly the c…
An equivariant graph neural network for the elasticity tensors of all seven crystal systems
Mingjian Wen, Matthew K. Horton, Jason M. Munro +2
The elasticity tensor that describes the elastic response of a material to external forces is among the most fundamental properties of materials. The availability of full elasticit…
The ab initio amorphous materials database: Empowering machine learning to decode diffusivity
Hui Zheng, Eric Sivonxay, Max Gallant +4
Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-stat…
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
Beam Energy Dependence of Dielectron Production in Au+Au Collisions from STAR at RHIC
Patrick Huck
We present the energy-dependent study of dielectron production in 0-80% minimum-bias Au+Au collisions at energies of 19.6, 27, 39, and 62.4 GeV in STAR. Invariant m…
A representation-independent electronic charge density database for crystalline materials
Jimmy-Xuan Shen, Jason M. Munro, Matthew K. Horton +3
In addition to being the core quantity in density functional theory, the charge density can be used in many tertiary analyses in materials sciences from bonding to assigning charge…