Publications
You can also find my articles on my Google Scholar profile.
Peer-Reviewed Articles
- J. Proppe⊥, S. Gugler⊥, M. Reiher "Gaussian Process-Based Refinement of Dispersion Corrections", J. Chem. Theory. Comput. 2019, 15, 6046; arXiv:1906.09342
- S. Gugler, J. P. Janet, H. J. Kulik, "Enumeration of de novo Inorganic Complexes for Chemical Discovery and Machine Learning", Mol. Syst. Des. Eng. 2019; chemrxiv
- A. Nandy, C. Duan, J. P. Janet, S. Gugler, H. J. Kulik, "Strategies and Software for Machine Learning Accelerated Discovery in Transition Metal Chemistry", Ind. Eng. Chem. Res. 2018, 57, 13973; chemrxiv
Conference Talks
- Gaussian process-based refinement of weak intermolecular forces (contributed talk), MRS Fall Meeting 2019, Boston (December 2019)
- Gaussian Process-Based Sampling and Refinement for Dispersion Correction (lightning talk), IBM Research C4 Workshop, Zurich (November 2019)
Conference Posters
- Gaussian Process-Based Refinement of Dispersion Correction 9th Molecular Quantum Mechanics Conference, Heidelberg (June 2019)
- Enumerating the inorganic universe of small complexes for machine learning
256th ACS National Meeting & Exposition, Boston (August 2018)
Awards
- PCCP Poster Award at Molecular Quantum Mechanicas 2019 for poster "Gaussian Process-Based Refinement of Dispersion Correction" (June 2019)