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by montecarl
1055 days ago
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I'll link to another reply of mine: https://news.ycombinator.com/item?id=36966474 The "just a function of" is a non-trivial problem. Given a single set of elements you want to "try out" results in a huge global optimization problem to find the set of stable structures (low energy). When aided by experimental data it becomes a tractable problem. |
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