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- National Institute of Standards and TechnologyUS47 papers
- Material Measurement LaboratoryUS19 papers
- University of Maryland, College ParkUS14 papers
- Physical Measurement LaboratoryUS9 papers
- University of Massachusetts DartmouthUS8 papers
- University of Colorado BoulderUS6 papers
- Centre National de la Recherche ScientifiqueFR5 papers
- George Mason UniversityUS5 papers
- University of California, Los AngelesUS4 papers
- Alabama Agricultural and Mechanical UniversityUS3 papers
- Columbia UniversityUS3 papers
- Georgetown UniversityUS3 papers
23 papers · 1 filter
Lean CNNs for mapping electron charge density fields to material properties
Pranoy Ray, Kamal Choudhury, Surya R. Kalidindi
This work introduces a lean CNN (convolutional neural network) framework, with a drastically reduced number of fittable parameters (<81K) compared to the benchmarks in current lite…
Single-Phase L1-Ordered High Entropy Thin Films with High Magnetic Anisotropy
Willie B. Beeson, Dinesh Bista, Huairuo Zhang +4
The vast high entropy alloy (HEA) composition space is promising for discovery of new material phases with unique properties. We explore the potential to achieve rare-earth-free hi…
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…
How to Report and Benchmark Emerging Field-Effect Transistors
Zhihui Cheng, Chin-Sheng Pang, Peiqi Wang +13
Emerging low-dimensional nanomaterials have been studied for decades in device applications as field-effect transistors (FETs). However, properly reporting and comparing device per…