Challenges for Theory and Computation
The routinely made assumptions for simulating solid materials are briefly summarized, since they need to be critically assessed when new aspects become important, such as excited states, finite temperature, time-dependence, etc. The significantly higher computer power combined with improved experime...
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| Format: | Article |
| Language: | English |
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MDPI AG
2017-12-01
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| Series: | Computation |
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| Online Access: | https://www.mdpi.com/2079-3197/5/4/49 |
| Summary: | The routinely made assumptions for simulating solid materials are briefly summarized, since they need to be critically assessed when new aspects become important, such as excited states, finite temperature, time-dependence, etc. The significantly higher computer power combined with improved experimental data open new areas for interdisciplinary research, for which new ideas and concepts are needed. |
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| ISSN: | 2079-3197 |