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20122025
most citedRecent Advances and Applications of Deep Learning Methods in Materials Science

1.2k citations

Showing 2022Show all

11 papers · 1 filter

physics.ins-det2022★ 12 cited

A tabletop x-ray tomography instrument for nanometer-scale imaging: demonstration of the 1,000-element transition-edge sensor subarray

Paul Szypryt, Nathan Nakamura, Daniel T. Becker +28

We report on the 1,000-element transition-edge sensor (TES) x-ray spectrometer implementation of the TOMographic Circuit Analysis Tool (TOMCAT). TOMCAT combines a high spatial reso…

cond-mat.supr-con2022★ 68 cited

High-Throughput DFT-Based Discovery of Next Generation Two-Dimensional (2D) Superconductors

Daniel Wines, Kamal Choudhary, Adam J. Biacchi +2

High-throughput density functional theory (DFT) calculations allow for a systematic search for conventional superconductors. With the recent interest in two-dimensional (2D) superc…

cond-mat.mtrl-sci2022★ 137 cited

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…

cond-mat.mes-hall2022★ 35 cited

Specifics of the Elemental Excitations in "True One-Dimensional" MoI van der Waals Nanowires

Fariborz Kargar, Zahra Barani, Nicholas R. Sesing +15

We report on the temperature evolution of the polarization-dependent Raman spectrum of exfoliated MoI, a van der Waals material with a "true one-dimensional" crystal structure…

cond-mat.mtrl-sci2022★ 120 cited

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…

cond-mat.str-el2022★ 33 cited

Systematic DFT+U and Quantum Monte Carlo benchmark of magnetic two-dimensional (2D) CrX (X = I, Br, Cl, F)

Daniel Wines, Kamal Choudhary, Francesca Tavazza

The search for two-dimensional (2D) magnetic materials has attracted a great deal of attention because of the experimental synthesis of 2D CrI, which has a measured Curie tempe…