Kevin Greenman

Kevin Greenman
Massachusetts Institute of Technology | MIT · Department of Chemical Engineering

Bachelor of Science in Engineering

About

9
Publications
849
Reads
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33
Citations
Citations since 2017
9 Research Items
33 Citations
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2017201820192020202120222023051015
Education
September 2019 - August 2024
Massachusetts Institute of Technology
Field of study
  • Chemical Engineering and Computation
September 2015 - May 2019
University of Michigan
Field of study
  • Chemical Engineering

Publications

Publications (9)
Article
Full-text available
Optical properties are central to molecular design for many applications, including solar cells and biomedical imaging. A variety of ab initio and statistical methods have been developed for their prediction, each with a trade-off between accuracy, generality, and cost. Existing theoretical methods such as time-dependent density functional theory (...
Article
Full-text available
InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. In this work, we apply hybrid density functional theory calculations to investigate the thermodynamic stab...
Preprint
Full-text available
Deep generative models have emerged as an exciting avenue for inverse molecular design, with progress coming from the interplay between training algorithms and molecular representations. One of the key challenges in their applicability to materials science and chemistry has been the lack of access to sizeable training datasets with property labels....
Article
ConspectusDesigning new materials is vital for addressing pressing societal challenges in health, energy, and sustainability. The combination of physicochemical laws and empirical trial and error has long guided material design, but this approach is limited by the cost of experiments and the difficulty of deriving complex guiding principles. The sp...
Preprint
Full-text available
Optical properties are central to molecular design for many applications, including solar cells and biomedical imaging. A variety of ab initio and statistical methods have been developed for their prediction, each with a trade-off between accuracy, generality, and cost. Existing theoretical methods such as time-dependent density functional theory (...
Preprint
Optical properties are central to molecular design for many applications, including solar cells and biomedical imaging. A variety of ab initio and statistical methods have been developed for their prediction, each with a trade-off between accuracy, generality, and cost. Existing theoretical methods such as time-dependent density functional theory (...
Preprint
Full-text available
InGaN light-emitting diodes (LEDs) are more efficient and cost effective than incandescent and fluorescent lighting, but lattice mismatch limits the thickness of InGaN layers that can be grown on GaN without performance-degrading dislocations. In this work, we apply hybrid density functional theory calculations to investigate the thermodynamic stab...

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