糖心原创

School of Chemistry
 

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Kristaps Ermanis

Assistant Professor in Organic Chemistry, Faculty of Science

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Biography

Kristaps Ermanis received his PhD in Organic Chemistry from the University of York in 2015, where he worked on the total synthesis of phorboxazole B with Prof. Paul Clarke. He then spent two years working in Prof. Jonathan Goodman group in Cambridge working on computational NMR structure elucidation. After a brief postdoc in Prof. Mike Porter group at UCL, he was awarded Leverhulme Early Career in 2017, held at Cambridge. Kristaps started his independent career as Assistant Professor at the 糖心原创 in 2021. His research interests are centred around using computational techniques to explore new organic reactions.

Expertise Summary

  • computational elucidation of organic reaction mechanisms
  • computational NMR spectra prediction and organic structure elucidation
  • machine learning applications in chemistry
  • reaction and catalyst design
  • organic synthesis of small molecules

Research Summary

In the Ermanis group our aim is to computationally explore new, synthetically useful organic reactions through synergistic use of DFT calculations and collaborative experiments. We have made… read more

Recent Publications

  • ERMANIS, KRISTAPS, COLGAN, AVENE C., PROCTOR, RUPERT S. J., HADRYS, BARBARA W., PHIPPS, ROBERT J. and GOODMAN, JONATHAN M., 2020. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 142(50), 21091-21101
  • MADDOCKS, CHRISTOPHER J., ERMANIS, KRISTAPS and CLARKE, PAUL A., 2020. ORGANIC LETTERS. 22(20), 8116-8121
  • NDUKWE, IKENNA E., WANG, XIAO, LAM, NELSON Y. S., ERMANIS, KRISTAPS, ALEXANDER, KELSEY L., BERTIN, MATTHEW J., MARTIN, GARY E., MUIR, GARRETT, PATERSON, IAN, BRITTON, ROBERT, GOODMAN, JONATHAN M., HELFRICH, ERIC J. N., PIEL, JOERN, GERWICK, WILLIAM H. and WILLIAMSON, R. THOMAS, 2020. CHEMICAL COMMUNICATIONS. 56(55), 7565-7568
  • HOWARTH, ALEXANDER, ERMANIS, KRISTAPS and GOODMAN, JONATHAN M., 2020. CHEMICAL SCIENCE. 11(17), 4351-4359

Current Research

In the Ermanis group our aim is to computationally explore new, synthetically useful organic reactions through synergistic use of DFT calculations and collaborative experiments. We have made contributions to several collaborative reaction development projects, including enantioselective iridium-catalyzed borylation reactions and enantioselective photocatalytic Minisci reactions.

We are also exploring machine learning applications in computational chemistry, as well as developing methods for reaction and catalyst design and discovery. Previously, we have also developed new methods for computational NMR spectra prediction, experimental NMR data interpretation and structure elucidation.

  • ERMANIS, KRISTAPS, COLGAN, AVENE C., PROCTOR, RUPERT S. J., HADRYS, BARBARA W., PHIPPS, ROBERT J. and GOODMAN, JONATHAN M., 2020. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 142(50), 21091-21101
  • MADDOCKS, CHRISTOPHER J., ERMANIS, KRISTAPS and CLARKE, PAUL A., 2020. ORGANIC LETTERS. 22(20), 8116-8121
  • NDUKWE, IKENNA E., WANG, XIAO, LAM, NELSON Y. S., ERMANIS, KRISTAPS, ALEXANDER, KELSEY L., BERTIN, MATTHEW J., MARTIN, GARY E., MUIR, GARRETT, PATERSON, IAN, BRITTON, ROBERT, GOODMAN, JONATHAN M., HELFRICH, ERIC J. N., PIEL, JOERN, GERWICK, WILLIAM H. and WILLIAMSON, R. THOMAS, 2020. CHEMICAL COMMUNICATIONS. 56(55), 7565-7568
  • HOWARTH, ALEXANDER, ERMANIS, KRISTAPS and GOODMAN, JONATHAN M., 2020. CHEMICAL SCIENCE. 11(17), 4351-4359
  • ERMANIS, KRISTAPS, PARKES, KEVIN E. B., AGBACK, TATIANA and GOODMAN, JONATHAN M., 2019. The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidation ORGANIC & BIOMOLECULAR CHEMISTRY. 17(24), 5886-5890
  • REID, JOLENE P., ERMANIS, KRISTAPS and GOODMAN, JONATHAN M., 2019. CHEMICAL COMMUNICATIONS. 55(12), 1778-1781
  • GROUNDS, HELEN, ERMANIS, KRISTAPS, NEWGAS, SOPHIE A. and PORTER, MICHAEL J., 2017. JOURNAL OF ORGANIC CHEMISTRY. 82(23), 12735-12739
  • ERMANIS, K., PARKES, K. E. B., AGBACK, T. and GOODMAN, J. M., 2017. Doubling the power of DP4 for computational structure elucidation ORGANIC & BIOMOLECULAR CHEMISTRY. 15(42), 8998-9007
  • ERMANIS, KRISTAPS, HSIAO, YIN-TING, KAYA, UGUR, JEUKEN, ALAN and CLARKE, PAUL A., 2017. CHEMICAL SCIENCE. 8(1), 482-490
  • ERMANIS, KRISTAPS, PARKES, KEVIN E. B., AGBACK, TATIANA and GOODMAN, JONATHAN M., 2016. Expanding DP4: application to drug compounds and automation ORGANIC & BIOMOLECULAR CHEMISTRY. 14(16), 3943-3949
  • NASIR, NADIAH MAD, ERMANIS, KRISTAPS and CLARKE, PAUL A., 2014. Strategies for the construction of tetrahydropyran rings in the synthesis of natural products ORGANIC & BIOMOLECULAR CHEMISTRY. 12(21), 3323-3335
  • CLARKE, PAUL A. and ERMANIS, KRISTAPS, 2013. CURRENT ORGANIC CHEMISTRY. 17(18), 2025-2037
  • CLARKE, PAUL A. and ERMANIS, KRISTAPS, 2012. ORGANIC LETTERS. 14(21), 5550-5553

School of Chemistry

University Park Nottingham, NG7 2RD

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