@BarrettRhyan

PhD at Leipzig University and TU Berlin working on machine learning for quantum chemistry 🧪

Joined October 2022
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  • Following134
  • Followers104
Yesterday, I had the chance to present my first spotlight poster at #MoML2024 at @Mila_Quebec AI Institute! I presented joint work done with @luisa_kaermer and our amazing advisors, @JWestermayr and @MeilerLab. Huge thanks to @Esporascicomm for the amazing graphic design work!
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Check out the Letter from @BarrettRhyan & @JWestermayr introducing an actor-critic reinforcement learning framework for targeting molecules w/desirable properties, used to predict minimum energy pathways for key reactions. @UniLeipzig @123H_RTG go.acs.org/8eG

Reinforcement Learning for Traversing Chemical Structure Space: Optimizing Transition States and...

Abstract. In recent years, deep learning has made remarkable strides, surpassing human capabilities in tasks, such as strategy games, and it has found appl

pubs.acs.org
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Check out my first first author paper with @JWestermayr introducing an actor-critic reinforcement learning framework for targeting molecules with desirable properties :): pubs.acs.org/doi/10.1021/acs… #ChemistryAI #ML #CompChem @UniLeipzig @123H_RTG

Reinforcement Learning for Traversing Chemical Structure Space: Optimizing Transition States and...

Abstract. In recent years, deep learning has made remarkable strides, surpassing human capabilities in tasks, such as strategy games, and it has found appl

pubs.acs.org
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📢 Hi #compchem and #ML community. I have an open PhD position I seek to fill as soon as possible. The focus is on ML for organic photocatalysis (NNs and exp. design). If you know of sb who might be interested, please encourage them to get in touch. Thanks for passing this along.
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Make sure not to miss @BarrettRhyan and Michael talking about #ML for ground, excited states and inverse design at the #cecam #psik workshop in Berlin! So glad to follow all the amazing talks online.😍thanks for the great organization @MicheleCeriotti @CecClementi & more
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