Jan-Niklas (Nik) Boyn
@jnboyn.bsky.social
Computational and Theoretical Chemist. Assistant Professor @ UMN.
Check out our latest collaboration now out in Nature. It's been an absolute pleasure to be able to contribute this and work with Courtney and her talented students.
Our group’s latest work is out today in @nature.com ! Our goal is to enable any chemist to be able to easily access an aryne intermediate! So Chris, Sal, and Felicia teamed up to design what we think is the ideal aryne precursor. Danny and @jnboyn.bsky.social helped us understand the activation!
Myriad Aryne Derivatives from Carboxylic Acids
Nature - Myriad Aryne Derivatives from Carboxylic Acids
www.google.com
November 6, 2025 at 10:09 PM
Check out our latest collaboration now out in Nature. It's been an absolute pleasure to be able to contribute this and work with Courtney and her talented students.
Check out the first paper from the Boyn group, now out in JCTC!
We investigate the response of various XC functionals to strong correlation in a hybrid DFT-1RDMFT framework and benchmark their performance, contrasting it with traditional unrestricted KS-DFT.
#compchem
pubs.acs.org/doi/10.1021/...
We investigate the response of various XC functionals to strong correlation in a hybrid DFT-1RDMFT framework and benchmark their performance, contrasting it with traditional unrestricted KS-DFT.
#compchem
pubs.acs.org/doi/10.1021/...
Benchmarking and Contrasting Exchange–Correlation Functional Differences in Response to Static Correlation in Unrestricted Kohn–Sham and a Hybrid 1-Electron Reduced Density Matrix Functional Theory
A hybrid Kohn–Sham Density Functional Theory (KS-DFT) and 1-electron Reduced Density Matrix Functional Theory (1-RDMFT) has recently been developed to describe strongly correlated systems at mean-fiel...
pubs.acs.org
May 12, 2025 at 11:55 PM
Check out the first paper from the Boyn group, now out in JCTC!
We investigate the response of various XC functionals to strong correlation in a hybrid DFT-1RDMFT framework and benchmark their performance, contrasting it with traditional unrestricted KS-DFT.
#compchem
pubs.acs.org/doi/10.1021/...
We investigate the response of various XC functionals to strong correlation in a hybrid DFT-1RDMFT framework and benchmark their performance, contrasting it with traditional unrestricted KS-DFT.
#compchem
pubs.acs.org/doi/10.1021/...
Excited to have been able to contribute to this! Check out this new preprint on Aryne synthesis spearheaded by the Robert’s group for which we did some computational modeling!
New year, new arynes! Our goal was to provide easy access to our favorite synthon, getting rid of the barrier to its widespread adoption. Now you can make an aryne precursor in one pot from a carboxylic acid ($1.55/g) then derivatize it using SNAr. Bonus: just use blue light or heat to activate!
January 2, 2025 at 6:44 PM
Excited to have been able to contribute to this! Check out this new preprint on Aryne synthesis spearheaded by the Robert’s group for which we did some computational modeling!