1.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- National Institute of Standards and TechnologyUS134 papers
- University of Maryland, College ParkUS31 papers
- Physical Measurement LaboratoryUS30 papers
- Theiss ResearchUS19 papers
- Joint Quantum InstituteUS12 papers
- Northwestern UniversityUS12 papers
- Argonne National LaboratoryUS11 papers
- NIST Center for Neutron ResearchUS11 papers
- Lawrence Berkeley National LaboratoryUS9 papers
- SLAC National Accelerator LaboratoryUS9 papers
- Princeton UniversityUS8 papers
- University of TorontoCA8 papers
6 papers · 2 filters
AtomVision: A machine vision library for atomistic images
Kamal Choudhary, Ramya Gurunathan, Brian DeCost +1
Computer vision techniques have immense potential for materials design applications. In this work, we introduce an integrated and general-purpose AtomVision library that can be use…
A critical examination of robustness and generalizability of machine learning prediction of materials properties
Kangming Li, Brian DeCost, Kamal Choudhary +2
Recent advances in machine learning (ML) methods have led to substantial improvement in materials property prediction against community benchmarks, but an excellent benchmark score…
Unified Graph Neural Network Force-field for the Periodic Table
Kamal Choudhary, Brian DeCost, Lily Major +3
Classical force fields (FF) based on machine learning (ML) methods show great potential for large scale simulations of materials. MLFFs have hitherto largely been designed and fitt…
ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data
Kamal Choudhary, Mathew L. Kelley
In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional mach…
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks +17
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades,…
Mapping Thermoelectric Transport in a Multicomponent Alloy Space
Ramya Gurunathan, Suchismita Sarker, Christopher K. H. Borg +4
Interest in high entropy alloy thermoelectric materials is predicated on achieving ultralow lattice thermal conductivity through large compositional disorder. However, h…