output
20102026
most citedRecent Advances and Applications of Deep Learning Methods in Materials Science

1.2k citations

Showing 2020Show all

13 papers · 1 filter

cond-mat.str-el2020★ 25 cited

Site-Specific Structure at Multiple Length Scales in Kagome Quantum Spin Liquid Candidates

Rebecca W. Smaha, Idris Boukahil, Charles J. Titus +11

Realizing a quantum spin liquid (QSL) ground state in a real material is a leading issue in condensed matter physics research. In this pursuit, it is crucial to fully characterize…

cond-mat.mtrl-sci2020★ 104 cited

Magnon-phonon hybridization in quasi-2D antiferromagnet MnPSe

Thuc T. Mai, K. F. Garrity, A. McCreary +5

Magnetic excitations in van der Waals (vdW) materials, especially in the two-dimensional (2D) limit, are an exciting research topic from both the fundamental and applied perspectiv…

cond-mat.mtrl-sci2020★ 62 cited

Coulombically-stabilized oxygen hole polarons enable fully reversible oxygen redox

Iwnetim I. Abate, C. Das Pemmaraju, Se Young Kim +10

Stabilizing high-valent redox couples and exotic electronic states necessitate an understanding of the stabilization mechanism. In oxides, whether they are being considered for ene…

cond-mat.mtrl-sci2020★ 16 cited

Faster Exact Exchange in Periodic Systems using Single-precision Arithmetic

John Vinson

Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the…

physics.optics2020★ 14 cited

Accurate localization microscopy by intrinsic aberration calibration

Craig R. Copeland, Craig D. McGray, B. Robert Ilic +2

A standard paradigm of localization microscopy involves extension from two to three dimensions by engineering information into emitter images, and approximation of errors resulting…

cond-mat.mtrl-sci2020★ 538 cited

The Joint Automated Repository for Various Integrated Simulations (JARVIS) for data-driven materials design

Kamal Choudhary, Kevin F. Garrity, Andrew C. E. Reid +25

The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional the…

physics.app-ph2020

Probing Electrified Liquid-Solid Interfaces with Scanning Electron Microscopy

Hongxuan Guo, Alexander Yulaev, Evgheni Strelcov +5

Electrical double layers play a key role in a variety of electrochemical systems. The mean free path of secondary electrons in aqueous solutions is on the order of a nanometer, mak…

cond-mat.mtrl-sci2020★ 549 cited

On-the-fly Closed-loop Autonomous Materials Discovery via Bayesian Active Learning

A. Gilad Kusne, Heshan Yu, Changming Wu +13

Active learning - the field of machine learning (ML) dedicated to optimal experiment design, has played a part in science as far back as the 18th century when Laplace used it to gu…

physics.ins-det2020★ 39 cited

A Transition-edge Sensor-based X-ray Spectrometer for the Study of Highly Charged Ions at the National Institute of Standards and Technology Electron Beam Ion Trap

P. Szypryt, G. C. O'Neil, E. Takacs +15

We report on the design, commissioning, and initial measurements of a Transition-edge Sensor (TES) x-ray spectrometer for the Electron Beam Ion Trap (EBIT) at the National Institut…

cond-mat.mtrl-sci2020★ 12 cited

Fast, efficient, and accurate dielectric screening using a local, real-space approach

John Vinson, Eric L. Shirley

Various many-body perturbation theory techniques for calculating electron behavior rely on {\it W}, the screened Coulomb interaction. Computing {\it W} requires complete knowledge…

physics.ins-det2020★ 18 cited

Precision Spectroscopy of Nitrous Oxide Isotopocules with a Cross-Dispersed Spectrometer and Mid-Infrared Frequency Comb

D. Michelle Bailey, Gang Zhao, Adam J. Fleisher

As a potent greenhouse gas and ozone depleting agent, nitrous oxide (NO) plays a critical role in the global climate. Effective mitigation relies on understanding global source…

cond-mat.mtrl-sci2020★ 22 cited

Topological surface states of MnBiTe at finite temperatures and at domain walls

Kevin F. Garrity, Sugata Chowdhury, Francesca M. Tavazza

MnBiTe has recently been the subject of intensive study, due to the prediction of axion insulator, Weyl semimetal, and quantum anomalous Hall insulator phases, depending on…

physics.atom-ph2020★ 34 cited

Cavity ring-down spectroscopy of CO near = 2.06 m: Accurate transition intensities for the Orbiting Carbon Observatory-2 (OCO-2) "strong band"

Hélène Fleurbaey, Hongming Yi, Erin M. Adkins +2

The = 2.06 m absorption band of CO is widely used for the remote sensing of atmospheric carbon dioxide, making it relevant to many important top-down measurements of car…