Aurora Clark
@chemnetworks.bsky.social
Computational and theoretical chemistry, solutions, interfaces, separations science, applied math and DS. Opinions are my own. clarkchem.com chemnetworks.com
two new papers from the lab: 1) how local electrostatic potentials alter the onset of the hydrogen evolution reaction (cool cover below!) bit.ly/4pVT8nV and 2) how surface capillary waves at oil-water interfaces are altered by surfactants - controlling temporal fluctuations (bit.ly/4pM61AI)
went to a fantastic CECAM workshop on Physics Aware Machine Learning this week in NYC! many thanks to the organizers, including @andrewrosen.bsky.social . Cornell's tech campus on Roosevelt Island was amazing and I got to see Death of a Salesman on Broadway (fantastic). Great science and great art!
Had my first commencement at UofU yesterday. So proud to celebrate our Chemiatry grads. One of the best parts of being Chair! It was a beautiful and happy day. @utahchemistry.bsky.social
beautiful day for the FACT conference at UW! all actinides, all the time
“Uruguay did what most nations still call impossible: it built a power grid that runs almost entirely on renewables—at half the cost of fossil fuels. The physicist who led that transformation says the same playbook could work anywhere—if governments have the courage to change the rules.”
Uruguay’s Renewable Charge: A Small Nation, A Big Lesson For The World
Uruguay built a power grid that runs 99% on renewables—at half the cost of fossil fuels. Here’s how its bold energy overhaul became a global model.
forbes.com
#NollaignamBan During WWII Kay McNulty was one of the women who devised processing routines for the ENIAC machine, establishing how artificial intelligence developed. At the public launch in 1946 the women programmers were relegated to the role of hostesses. www.dib.ie/biography/mc...
Incredibly sad to hear of the passing of Dave Dixon on Friday. Dave was very supportive of me throughout my career, and I deeply appreciated his intellect, knowledge, and passion for fundamental science across the periodic table. A huge loss for the computational chemistry community #compchem
If you see this, post a random fact about yourself: As a child, I danced on stage with Chuck Berry.
Caroline Lynn Kamerlin ☀️@lynnkamerlin.bsky.social · 7mo agoIf you see this, post a random fact about yourself: I am a pianist and have been on the stage of the Wiener Konzerthaus... As a finalist in a beauty pageant to find the advertising face of Manner for the subsequent year.
last paper of the yr! 2025 saw the first papers from my group after moving to @utahchemistry.bsky.social. Glad we are finally back on track research wise and excited to keep on sharing all our new ideas! This paper shows an expedient new way to predict pKa's! #compchem pubs.acs.org/doi/10.1021/...
Accurate and Efficient Prediction of pKw in Aqueous Electrolytes Using Local Electrostatic Potentials
The Kw = 10–pKw in aqueous electrolytes exhibit significant variations as a function of ion concentration. This behavior is not well-described by the Pitzer model, particularly at high concentrations....
pubs.acs.org
Fun new paper out today! A new tool to explore how electronic density changes during chemical reactions. #compchem pubs.acs.org/doi/10.1021/...
Electron Density Transport During Chemical Reactions
Statistical approaches are an increasingly powerful technique for characterizing changes in the electronic structure during reactions or molecular excitations. High-throughput studies in complex envir...
pubs.acs.org
Check out the latest issue of the annual Department of Chemistry Catalyst magazine! special article on critical materials - highlighting all of the fantastic work of my colleagues. issuu.com/universityof...
Catalyst 2025
issuu.com
The casual disdain underlying the NCAR dismantling effort is hitting so hard. Just bottomless grievance wielding a buzzsaw. No curiosity. No forethought. וְשָׂנֵ֤אתִֽי אֲנִי֙ אֶת־כָּל־עֲמָלִ֔י שֶֽׁאֲנִ֥י עָמֵ֖ל תַּ֣חַת הַשָּׁ֑מֶשׁ שֶׁ֣אַנִּיחֶ֔נּוּ לָֽאָדָ֖ם שֶׁיִּֽהְיֶ֥ה אַֽחֲרָֽי וּמִ֣י יוֹדֵ֗עַ הֶֽחָכָ֤ם יִֽהְיֶה֙ א֣וֹ סָכָ֔ל וְיִשְׁלַט֙ בְּכָל־עֲמָלִ֔י שֶֽׁעָמַ֥לְתִּי וְשֶֽׁחָכַ֖מְתִּי תַּ֣חַת הַשָּׁ֑מֶשׁ גַּם־זֶ֖ה הָֽבֶל
Scientists in Czechia have devised a new method to assess the covalency of halogen bonds.
Paramagnetic NMR used to probe covalent character of halogen bonds
Assessing hyperfine shifts in paramagnetic NMR spectra provides new details on the covalent character of halogen bonded cocrystals
chemistryworld.com
Really enjoyed creating this primer on topology for Nat. Rev. Chem. I hope it demystifies fundamental concepts in topology and helps you see opportunities in your own research! #compchem #chemsky #topology rdcu.be/eQLAn
Topology without tears
Nature Reviews Chemistry - As scientists, our instinct is often to view physical systems within a Euclidean geometric space, defined by distances and angles measurable through techniques like X-ray...
rdcu.be
fall is always an exciting time and I love engaging with prospective students! our Ph.D. program is having a virtual information session - come learn about our amazing science, supportive infrastructure and, perhaps most importantly, the famous Waffle Wednesday. #chemsky #gradschool
If anyone needs to know this, most plastic wrap in the US is made from polyethylene, but plastic wrap in Europe is made from PVC. This really matters if you are trying to make a decorative sugar dome for a cake after you saw them do it on a British baking show. #chemsky
The Python Software Foundation rejected a $1.5 million U.S. government grant because it required them to renounce all diversity, equity, and inclusion initiatives. www.theregister.com/2025/10/27/p...
theregister.com
Very proud of this great paper - a perfect synergy of experiment and theory! Congrats to postdoc Qing Guo ! #compchem #chemsky Mineral dissolution by dimeric complexes | PNAS www.pnas.org/doi/abs/10.1...
Mineral dissolution by dimeric complexes | PNAS
Mineral dissolution is typically thought to occur by the detachment of monomeric building blocks of the crystal structure, although direct evidence...
pnas.org
A much neglected point of discussion in LLMs. search.app/Prk5u
Age and gender distortion in online media and large language models - Nature
Stereotypes of age-related gender bias are socially distorted, as evidenced by the age gap in the representations of women and men across various media and algorithms, despite no systematic age differences in the workforce.
search.app
Monica Olvera de la Cruz brings chemical simulations into the real world This computational chemist unites theoretical and experimental science using physics, biology, and chemistry. #HispanicHeritageMonth cen.acs.org/materials/po...
Monica Olvera de la Cruz brings chemical simulations into the real world
This researcher unites theoretical and experimental science using physics, biology, and chemistry
cen.acs.org
New Nano Letters paper online! We studied the #hydrogen insertion into Pd nanostructures enriched with well-defined Σ3(111) #GrainBoundaries. PdGB exhibits dramatically accelerated hydriding and dehydriding kinetics compared with Pd nanoparticles! pubs.acs.org/doi/full/10....
Σ3(111) Grain Boundaries Accelerate Hydrogen Insertion into Palladium Nanostructures
Grain boundaries (GBs) are frequently implicated as key defect structures facilitating metal hydride formation, yet their specific role remains poorly understood due to their structural complexity. He...
pubs.acs.org
BREAKING: "Just landed." Mark Bray confirms to me this morning that he and his family did, on the second attempt, make it out of the US and to Spain www.wired.com/story/mark-b...
He Wrote a Book About Antifa. Death Threats Are Driving Him Out of the US
Rutgers historian Mark Bray is trying to flee to Spain after after an online campaign from far-right influencers was followed by death threats. He was turned back at the airport on his first attempt.
wired.com
ML requires databases - this has been severely lacking in chemical separations - but no more! Introducing the Separations Archive for Elements (SAFE). Super proud of a great collab with Los Alamos Natl Lab and Fordham University #machinelearning #chemsky www.tandfonline.com/doi/full/10....
Creation of the Separation Archive for Elements (SAFE) Database
Published in Solvent Extraction and Ion Exchange (Ahead of Print, 2025)
tandfonline.com
Every Artist Has a Favorite Subject. For Some, That’s Math. - The New York Times share.google/GEnaHYPrqFWj...
share.google
Congratulations to the recipients of this year's Distinguished Alumni Award, Dr. Hyung Kyu Shin, Dr. Michael Hunnicutt, and Dr. Sally Hunnicutt! Read more about the event and each of our awardees: www.chemistry.utah.edu/awards/2025-...
