DesDesigning in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry
Recent transformative advances in computing power and algorithms have made computational chemistry central to the discovery and design of new molecules and materials. First-principles simulations are increasingly accurate and applicable to large systems with the speed needed for high-throughput comp...
| প্রধান লেখক: | , , , , , , |
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| অন্যান্য লেখক: | |
| বিন্যাস: | প্রবন্ধ |
| ভাষা: | English |
| প্রকাশিত: |
American Chemical Society (ACS)
2021
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| অনলাইন ব্যবহার করুন: | https://hdl.handle.net/1721.1/130539 |