Đang chuẩn bị nút TẢI XUỐNG, xin hãy chờ
Tải xuống
The report is structured as follows. A short overview to the theoretical background, simulation methods and tools commonly used in self-assembly studies in Section 2. In Section 3, we will review several examples to demonstrate how simulation has helped explain the complex assembled structures and processes observed in experiment. In Section 4 we discuss the predictions provided by molecular simulation, which can be used as guidance to further experimental efforts. Finally, we envision the roles of molecular simulation in support of data mining techniques and computing capabilities accelerating the discovery of new nanomaterials. | Accelerated discovery of nanomaterials using molecular simulation