Machine learning and molecular descriptors enable rational solvent selection in asymmetric catalysis

• Accelerated dinuclear palladium catalyst identification through unsupervised machine learning

  2021 Science article Materials Science Machine Learning in Materials Science

  176

  citations
• Machine Learning in Chemical Engineering: A Perspective

  2021 Chemie Ingenieur Technik article Materials Science Machine Learning in Materials Science Open access

  290

  citations
• Deterministic global optimization with Gaussian processes embedded

  2021 Mathematical Programming Computation article Mathematics Advanced Optimization Algorithms Research Open access

  47

  citations
• Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

  2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

  4

  citations
• Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

  2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

  17

  citations
• Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

  2020 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

  4

  citations
• Global Optimization of Gaussian processes

  2020 arXiv (Cornell University) preprint Mathematics Advanced Optimization Algorithms Research Open access

  5

  citations
• Simultaneous rational design of ion separation membranes and processes

  2020 preprint Environmental Science Membrane Separation Technologies Open access

  2

  citations
• Simultaneous rational design of ion separation membranes and processes

  2020 Journal of Membrane Science article Environmental Science Membrane Separation Technologies Open access

  45

  citations

9 results