activity
20182023
most citedCrystal Toolkit: A Web App Framework to Improve Usability and Accessibility of Materials Science Research Algorithms

8 citations · 10 across the 4 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2023

Designing transparent conductors using forbidden optical transitions

Rachel Woods-Robinson, Yihuang Xiong, Jimmy-Xuan Shen +6

Many semiconductors present weak or forbidden transitions at their fundamental band gaps, inducing a widened region of transparency. This occurs in high-performing n-type transpare…

cond-mat.mtrl-sci2023★ 8 cited

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.…

cond-mat.mtrl-sci2022★ 1 cited

Expanding the Materials Search Space for Multivalent Cathodes

Ann Rutt, Jimmy-Xuan Shen, Matthew Horton +3

Multivalent batteries are an energy storage technology with the potential to surpass lithium-ion batteries, however their performance has been limited by the low voltages and poor…

cond-mat.mtrl-sci2021★ 1 cited

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…

cond-mat.mtrl-sci2020

Nonrad: Computing Nonradiative Capture Coefficients from First Principles

Mark E. Turiansky, Audrius Alkauskas, Manuel Engel +5

Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonr…

cond-mat.mtrl-sci2018

Defect identification based on first-principles calculations for deep level transient spectroscopy

Darshana Wickramaratne, Cyrus E. Dreyer, Bartomeu Monserrat +4

Deep level transient spectroscopy (DLTS) is used extensively to study defects in semiconductors. We demonstrate that great care should be exercised in interpreting activation energ…