Computational organic chemist, assistant professor at @NottsChemistry On Mastodon: @ermanis@mstdn.science
Joined June 2021
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Excited to see our latest paper in collaboration with the Phipps group out in @ACSCatalysis! Computational analysis revealed key interactions in chiral cation-directed enantioselective C-H borylation reaction. 1/3
pubs.acs.org/doi/10.1021/acs…
Kristaps Ermanis retweeted
We are excited to be launching the University of Nottingham’s new MSc in AI and Digital Chemistry! First cohort starts 2026. There are automatic scholarships of £3,000: nottingham.ac.uk/studywithus… Find more information about the MSc and how to apply at: tinyurl.com/aichem
A new density functional from... Microsoft??
The wait is over! Microsoft Research is sharing Skala, the new exchange-correlation functional, marking a major milestone in the accuracy/cost trade-off in DFT. Help us learn from your testing so we can improve. Available on Azure AI Foundry and GitHub. msft.it/6016sFDLY
Kristaps Ermanis retweeted
We are excited to be launching the University of Nottingham’s new postgraduate masters MSc in AI and Digital Chemistry! First cohort starts 2026. Find more information and how to apply at: tinyurl.com/aichem
Kristaps Ermanis retweeted
'Straitened times call for difficult choices,' writes @PatDWalter. 'You can be sure that university leaders and groups are already lobbying the government hard on behalf of higher education. The government now needs to listen.
chemistryworld.com/news/if-t…
Kristaps Ermanis retweeted
Two days of excellent scientific discussion at our Comp Chem retreat! And some lovely springtime sunshine in the Peak District.
Kristaps Ermanis retweeted
Check out our stereodivergent synthesis of atropisomeric peptide analogues in @ChemicalScience. Congrats to @NatalieRoper_ & @Aaron1234C! Thanks to Alistair @CBCB_Newcastle & @ErmanisKristaps for your contributions. @ChemistryNCL @ChemistryUoN @SciencesNCL
pubs.rsc.org/en/content/arti…
Kristaps Ermanis retweeted
Our work in @SarpongGroup on remodeling of 2-pyrones to aryl amines under mild conditions is out in @ChemicalScience. I enjoyed working with Louis in @bobbypaton’s lab and Melissa in @Sigman_Lab to better understand this unexpected transformation! 1/3
pubs.rsc.org/en/Content/Arti…
Kristaps Ermanis retweeted
We’re delighted that UoN has been ranked in the top 100 globally for Chemistry in the latest QS World University Rankings by Subject!
topuniversities.com/subject-…
Kristaps Ermanis retweeted
Mixed feelings to announce the first paper to come out from our good friend Prof Paul Clarke's lab since he died last year. Elegant and creative total synthesis work of the type Paul was always best known for.
@ChemistryatYork @ChemCommun @Ian_Fairlamb
pubs.rsc.org/en/Content/Arti…
Kristaps Ermanis retweeted
ICYMI, from Kristaps Ermanis, @r_armstrong_lab and co.
'Synthesis, structure and stereodynamics of atropisomeric N-chloroamides'
@ChemistryNCL, @DentonLab
#OpenAccess🔓
pubs.rsc.org/en/content/arti…
Kristaps Ermanis retweeted
In this general election year, the R&D sector have come together to state our united position on the importance of R&D for the UK 🔬🧪⚙️
As a sector we call for continued and sustainable R&D investment to make the UK a leading country in the G7 🚀📈
sciencecampaign.org.uk/analy…
Kristaps Ermanis retweeted
youtube.com/watch?v=KOCGANgU…
How is it made? One-dimensional gas in a carbon nanotube.
Kristaps Ermanis retweeted
Pleased to share our new paper in @ChemCommun on atropisomeric N-chloroamides (how to make them & how they racemize).
Congratulations to @Aaron1234C & @NatalieRoper_ and thanks to @ErmanisKristaps & @Maitotoxin for your work on the #compchem.
Read it here:
pubs.rsc.org/en/content/arti…
Kristaps Ermanis retweeted
@MKadarauch and I are excited to present the latest work from the Phipps group now in @J_A_C_S. Using sSPhos as an easy-to-access chiral ligand, four classes of substrate can undergo arylative enantioselective dearomatisation. Read it here: pubs.acs.org/doi/10.1021/jac…
Kristaps Ermanis retweeted
📣 Don't miss Alexander Fanourakis & Robert J. Phipps' new @ChemicalScience Review 📣
Catalytic, asymmetric carbon–nitrogen bond formation using metal nitrenoids: from metal–ligand complexes via metalloporphyrins to enzymes 🔗 doi.org/10.1039/D3SC04661C
Kristaps Ermanis retweeted
We're happy to announce v1.98, the latest beta of Avogadro2, including piles of new features and bug fixes, including support for @3Dconnexion devices on Windows and Mac #compchem
Lots more - see:
discuss.avogadro.cc/t/avogad…
Kristaps Ermanis retweeted
Interrogating the Crucial Interactions at Play in the Chiral Cation-Directed Enantioselective Borylation of Arenes (@ErmanisKristaps): pubs.acs.org/doi/10.1021/acs… (@ACSCatalysis).
We found that the two substrate classes bind in the catalyst pocket in distinct ways. Amides favour cation-dipole interaction with the chiral cation. In contrast, phosphinamides have two π-π interactions and a hydrogen bond with the chiral cation. 2/3
