66 citations · 168 across the 10 of their papers we have counts for
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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…
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.…
High-throughput optical absorption spectra for inorganic semiconductors
Ruo Xi Yang, Matthew K. Horton, Jason Munro +1
An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvestin…
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…
Comparison of the Tetrahedron Method to Smearing Methods for the Electronic Density of States
M. Y. Toriyama, A. M. Ganose, M. Dylla +7
The electronic density of states (DOS) highlights fundamental properties of materials that oftentimes dictate their properties, such as the band gap and Van Hove singularities. In…
High-throughput search for magnetic and topological order in transition metal oxides
Nathan C. Frey, Matthew K. Horton, Jason M. Munro +3
The discovery of intrinsic magnetic topological order in has invigorated the search for materials with coexisting magnetic and topological phases. These multi-orde…
Antisymmetry: Fundamentals and Applications
Hari Padmanabhan, Jason M. Munro, Ismaila Dabo +1
Symmetry is fundamental to understanding our physical world. An antisymmetry operation switches between two different states of a trait, such as two time-states, position-states, c…
DiSPy: Implementation of Distortion Symmetry for the Nudged Elastic Band Method
Jason M. Munro, Vincent S. Liu, Venkatraman Gopalan +1
The nudged elastic band (NEB) method is a commonly used approach for the calculation of minimum energy pathways of kinetic processes. However, the final paths obtained rely heavily…
A new symmetry-based framework for discovering minimum energy pathways
Jason M. Munro, Hirofumi Akamatsu, Haricharan Padmanabhan +6
Physical systems evolve from one state to another along paths of least energy barrier. Without a priori knowledge of the energy landscape, multidimensional search methods aim to fi…
Spatio-temporal Symmetry - Point Groups with Time Translations
Haricharan Padmanabhan, Maggie L. Kingsland, Jason M. Munro +2
Spatial symmetries occur in combination with temporal symmetries in a wide range of physical systems in nature, including time-periodic quantum systems typically described by the F…