Alán Aspuru-Guzik
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Year of Publication:2020
Machine learning and big-data in computational chemistry
Handbook of Materials Modeling: Methods: Theory and Modeling,pp.1939–1962,2020
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Year of Publication:2019
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Year of Publication:2018
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
ACS Central Science,vol.4,pp.268 – 276,2018
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Year of Publication:2019
Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries
J. Mater. Chem. A,vol.7,pp.12833-12841,2019
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Year of Publication:2017
UV-Vis spectrophotometry of quinone flow battery electrolyte for: In situ monitoring and improved electrochemical modeling of potential and quinhydrone formation
Physical Chemistry Chemical Physics,vol.19,2017
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Year of Publication:2015
Combinatorial design of OLED-emitting materials
Digest of Technical Papers – SID International Symposium,vol.46,2015
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Year of Publication:2015
What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
Annual Review of Materials Research,vol.45,2015
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Year of Publication:2016
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach
Nature Materials,vol.15,2016
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Year of Publication:2017
An Alternative Host Material for Long-Lifespan Blue Organic Light-Emitting Diodes Using Thermally Activated Delayed Fluorescence
Advanced Science,vol.4,2017
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Year of Publication:2016
Turbocharged molecular discovery of OLED emitters: From high-throughput quantum simulation to highly efficient TADF devices
Proceedings of SPIE – The International Society for Optical Engineering,vol.9941,2016