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Estimating reaction barriers with deep reinforcement learning1
by
Pal, Adittya
Published in
Data Science
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On hydrogen bonding in two carboxyl-functionalised imidazolium based ionic liquids
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Pal, Adittya
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Bhargava, B. L.
Published in
Molecular physics
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Estimating Reaction Barriers with Deep Reinforcement Learning
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Pal, Adittya
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arXiv.org
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Finding Thermodynamically Favorable Pathways in Reaction Networks using Flows in Hypergraphs and Mixed Integer Linear Programming
by
Pal, Adittya
,
Fagerberg, Rolf
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Andersen, Jakob Lykke
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Flamm, Christoph
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Dittrich, Peter
,
Merkle, Daniel
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arXiv.org
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Data Science
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Molecular Physics
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Autocorrelation Functions
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Bonding Strength
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Carboxyl Functionalised Imidazolium Based Ionic Liquids
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Chemical Bonds
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Hydrogen Bond Lifetimes
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Hydrogen Bonding In Ionic Liquids
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