Published August 21, 2020
| Version v1
Software
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Solving the inverse materials design problem with alchemical chirality
Description
Dataset for Solving the inverse materials design problem with alchemical chirality (https://arxiv.org/abs/2008.02784).
Files
PBE.txt
Files
(427.5 kB)
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Additional details
Funding
- Swiss National Science Foundation
- Big Data for Computational Chemistry: Unified machine learning and sparse grid combination technique for quantum based molecular design 407540_167186
- Swiss National Science Foundation
- From atomistic exploration of chemical compound space towards bio-molecular design: Quantum mechanical rational compound design (QM-RCD) PP00P2_138932
- Swiss National Science Foundation
- Sampling chemical space with alchemical perturbation theory 200021_175747
- European Commission
- QML – Quantum Machine Learning: Chemical Reactions with Unprecedented Speed and Accuracy 772834
References
- arxiv:2008.02784