ML-aided High-throughput screening for Novel Oxide Perovskite Discovery

By Anjana Talapatra

Los Alamos National Laboratory

ML-based tool to discover novel oxide perovskites with wide band gaps

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Version 1.01 - published on 20 Jul 2021

doi:10.21981/Q9CC-P934 cite this

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Usage

World usage

Location of all "ML-aided High-throughput screening for Novel Oxide Perovskite Discovery" Users Since Its Posting

Cumulative Simulation Users

142

57 58 62 69 83 87 89 91 93 94 95 97 99 100 103 105 112 116 120 121 124 126 128 129 130 130 132 133 136 137 137 141 141 142

Simulation Runs

435

123 125 133 151 187 198 204 211 220 236 248 265 269 271 284 301 321 332 340 346 359 365 373 375 385 385 395 397 407 415 419 431 431 435
Overview
Average Total
Wall Clock Time 5.56 hours 63.27 days
CPU time 52.12 seconds 3.95 hours
Interaction Time 1.55 hours 17.63 days