Challenges for Theory and Computation
نویسنده
چکیده
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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عنوان ژورنال:
- Computation
دوره 5 شماره
صفحات -
تاریخ انتشار 2017