First-Principles Simulation—Nano-Theory
First-principles (or ab initio) simulation is one of the most significant theoretical approaches to study and model systems at the atomistic level [...]
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-07-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/11/8/855 |
| Summary: | First-principles (or ab initio) simulation is one of the most significant theoretical approaches to study and model systems at the atomistic level [...] |
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| ISSN: | 2073-4352 |