New preprint online today - spearheaded by my very talented postdoc, Jonas - on a new reusable, open-source software implementation of the second-order trust region algorithm:
arxiv.org/abs/2509.13931
Here are some of the reasons why this library may be useful for a great many in our community. 👇
On my way to Toulouse for a fun workshop on «Emerging excited state methods in electronic-structure»🥳 Thanks to @titouloos.bsky.social for inviting me🌟 I’m very much looking forward to it!
I have an open PhD position on the development of coupled cluster models for electronically open molecules🌟 Please share! #ERCCoG
www.jobbnorge.no/en/available...
😂🙈
I mean «poison someone», of course! Hard to kill anyone with zero concentration of poison🙈
“Don’t homeopathically kill someone” 😂 Priceless!
We should probably do better!
www.chemistryworld.com/opinion/scie...
A happy new year to you as well! Haha, heroic🙈🧐 Thanks, yes, crossing fingers for quick recovery! I need some of that «skele-grow» from Harry Potter😆
Thanks! Haha, heroic or stupid🙈
When you go to the hospital on January 1st because you got hurt at 3am, people expect a good story…😬 However, I was just the idiot who ran down the stairs without glasses to make sure the crying toddler didn’t wake up the entire family💁🏼♀️
Happy New Year! We just created a new place to be here on this platform. More to come 🙂
The chemical structure of resiniferatoxin, drawn with TWSBI ECO fountain pens in a dark purple and dark gray inks.
Anyone up for some #ToxTuesday?
A lot of us love spicy foods, and the capsaicin in chili peppers that gives us that heat can be addictive. But is there anything hotter? I'm glad you asked. Yes, yes there is. And it's called RESINIFERATOXIN
On my way home after a fantastic Löwdin Symposium in Uppsala🌟 Great people and fantastic science🤩 I’m probably late to the party, but I’m really excited to see the phase-space electronic Hamiltonian work by Subotnik&co 💎 pubs.acs.org/doi/abs/10.1...
#compchem
Last chance to apply for this exciting position in my group 😉
Very happy to have this one in the open
doi.org/10.26434/che...
We found that mutual information measures are useful to identify spatial correlations in peptide systems, even at the Hartree-Fock or KS-DFT Slater Determinant level. Locality is a thing, as is chemical bonding. (1/2)
Correlation in Dipeptide Systems form Quantum Information Theory Perspectives
Authors: Mostafa Javaheri Moghadam, Katharina Boguslawski, Rayna Doucet, Örs Legeza, Paweł Tecmer, Stijn De Baerdemacker
DOI: 10.26434/chemrxiv-2024-2qs86
#VISTAtalks on #CompChem 🧪
Wed 11 Dec
10:00 EST/ 16:00 Paris / 23:00 Beijing
* Christine Aikens, Kansas State Univ: TDDFT Studies of Electron Dynamics in Plasmonic Systems
* Victor Suarez, Georgia Inst Tech: Intermolecular Coulombic Decay in Water Dimers
quantum-dynamics-hub.github.io/VISTA/
So grateful to the ACS for having childcare at national meetings, so my daughter can come with. It makes a huge difference, especially when both parents are academics in overlapping fields (=go to same conferences).
I'm so excited to receive an ERC Consolidator Grant for my project, OpenQuantum!🥳 Thanks to my group, colleagues and collaborators for support ! #ERCCoG
A summary of the influence of non-covalent interactions on physical properties. It just covers the basics for undergraduates and looks at boiling point & solubility/miscibility. It reinforces the idea that this is a scale - compounds aren't simply soluble or insoluble but can be slightly soluble.
Another old #ChemEd #Chemistry #ChemSky 1 pg summary. It continues last week's non-covalent interactions & looks at boiling points & solubility/miscibility. It was aimed at 1st year non-chemists (most of my old students). But it reminds them that these properties are on a scale. Enjoy.
From the piece «Irreversibility» by Willis E. Lamb Jr in «Quantum statistical mechanics in the natural sciences».
I love reading «old» books!🌟 I found the best description of the laws of thermodynamics, written by Willis Lamb in 1973. They are as follows:
“1) You can’t win.
2) You can only break even at a temperatur of absolute zero.
3) Bets at absolute zero are not permitted”
#chemsky #compchem
The FORmula TRANslating system is aging well.
Happy 70th birthday, Fortran! 🧪
Look who's here
@pnas.org ✔️
@science.org ✔️
@naturecellbiology.bsky.social ✔️
@natrevgenet.bsky.social ✔️
@naturebiotech.bsky.social ✔️
@naturemicrobiol.bsky.social ✔️
@naturechemistry.bsky.social ✔️
@genesdev.bsky.social ✔️
@cellchembiol.bsky.social ✔️
@genomeresearch.bsky.social ✔️
@jcellbiol.bsky.social ✔️
If you are in Uppsala on December 6, join the Lowdin Symposium! It’s free of charge and a full day of interesting lectures, organized by Roland Lindh👏🏻 I’m excited to talk about our wave function based density operators😃 #theochem #compchem
quantchem.weebly.com/the-2024-lou...
Yes, please!😃
Haha, but it has only been a month since you sent me the link!😅 From people told me I should go on twitter, it took me like five years to sign up🙈
Thanks!
I’m apparently susceptible to peer pressure, so I’m trying out bluesky🌟 Hope there are #compchem people here!
