On the utilization of principal component analysis in laser-induced breakdown spectroscopy data analysis, a review
Pořízka, Pavel, Klus, Jakub, Képeš, Erik, Prochazka, David, Hahn, David W., Kaiser, Jozef
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.10.2018)
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.10.2018)
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Plasma chemistry produced during laser ablation of graphite in air, argon, helium and nitrogen
Diaz, Daniel, Hahn, David W.
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.04.2020)
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.04.2020)
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Journal Article
Aerosol measurements with laser-induced breakdown spectroscopy and conditional analysis
Diaz, Daniel, Hahn, David W.
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.05.2021)
Published in Spectrochimica acta. Part B: Atomic spectroscopy (01.05.2021)
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Chemical Space Exploration with Active Learning and Alchemical Free Energies
Khalak, Yuriy, Tresadern, Gary, Hahn, David F., de Groot, Bert L., Gapsys, Vytautas
Published in Journal of chemical theory and computation (11.10.2022)
Published in Journal of chemical theory and computation (11.10.2022)
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Journal Article
To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough
Pitman, Mary, Hahn, David F., Tresadern, Gary, Mobley, David L.
Published in Journal of chemical information and modeling (27.03.2023)
Published in Journal of chemical information and modeling (27.03.2023)
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Journal Article
Pre-Exascale Computing of Protein–Ligand Binding Free Energies with Open Source Software for Drug Design
Gapsys, Vytautas, Hahn, David F, Tresadern, Gary, Mobley, David L, Rampp, Markus, de Groot, Bert L
Published in Journal of chemical information and modeling (14.03.2022)
Published in Journal of chemical information and modeling (14.03.2022)
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