Melting point simulation using OpenKIM

By Martin Hunt1; Alejandro Strachan1; Saaketh Desai1

1. Purdue University

Computes melting point using a coexistence technique using interatomic potentials from OpenKIM

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Version 1.8 - published on 22 Aug 2021

doi:10.21981/809G-4857 cite this

Open source: license | download

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Usage

World usage

Location of all "Melting point simulation using OpenKIM" Users Since Its Posting

Cumulative Simulation Users

130

7 9 9 9 10 12 15 17 23 25 25 26 27 31 35 36 52 55 56 59 61 62 63 65 68 72 75 76 78 80 81 86 93 95 95 96 100 102 104 105 106 108 108 109 109 110 114 116 117 118 119 119 121 121 124 125 126 128 129 130 130 130

Simulation Runs

4,325

38 42 46 46 47 57 75 83 117 127 127 161 233 382 404 429 470 498 518 535 555 570 576 616 666 689 713 731 763 2194 2474 4026 4111 4144 4144 4148 4160 4177 4202 4206 4212 4224 4224 4230 4247 4255 4262 4270 4272 4276 4284 4284 4294 4299 4307 4309 4311 4317 4321 4323 4323 4325
Overview
Average Total
Wall Clock Time 4.02 days 1623.99 days
CPU time 1.89 days 764.27 days
Interaction Time 4.57 hours 77 days