Statistical Learning with R for Stanford: This is an introductory-level course in supervised, with focus on regression & classification methods with over 100 videos for free. What you’ll learn: - Linear regression - Resampling methods - Multiple testing - Classification

A fascinating piece of review on antiaromaticity in molecular assemblies and materials from Dr Lavendomme Roy Lavendomme and Dr Yamashina 豊田研 Science Tokyo （東京科学大学） 👨‍🔬🧑‍🔬 👉pubs.rsc.org/en/content/art…

A very exciting study from Jacquelyne Read, Eric Jacobsen, and Matthew Sigman in #JOrgChem: development of a computational library and automated analysis tool for assessing and predicting Noncovalent Interactions (NCIs). Selected for #EditorsChoice go.acs.org/bMV

Two-Dimensional Janus p-n Heterojunction of Co3O4 and CoMoO4 for Boosting Photocatalytic Oxidative Desulfurization

Recent advances in functionalized macrocyclic polyamines for medicine applications doi.org/10.1016/j.ccle…

A Brief Guide to Writing the English Paper (1/6) by Harvard University

We're exploring new chemical territory with our latest publication on "Donor-free 9,10-dihydro-9,10-dialuminaanthracenes". 🚀 Chemical Science pubs.rsc.org/en/Content/Art… Paula Lückert & Jannik Gilmer 🍾 #MyFirstChemSci

The Fractional Occupation Density (FOD) diagnostic can help to identify systems with multi-reference character in a fast and intuitive way. Check out the recent paper by Bun Chan and our tutorials on FOD with ORCA. faccts.de/docs/orca/6.0/… pubs.acs.org/doi/full/10.10… #ORCAqc

Take a look at this NEW Article from Clare Grey & Dominic Wright et al at Cambridge Chemistry Now included in ChemComm's 60th Anniversary Collection 'Borates vs. aluminates: comparing the anion for lithium-ion batteries' #openaccess buff.ly/3ZXiXIS

The Synergetic Effect of Dual Active Sites in ZnO-ZrO2 Catalyst for CO2 Hydrogenation to Methanol

MolPipeline: A Python Package for Processing Molecules with RDKit in Scikit-learn #RDKit pubs.acs.org/doi/10.1021/ac… jochen_sieg #JCIM Vol64 Issue24 #ApplicationNote

Understanding factors influencing ionic-current-induced magnetic fields is crucial for materials science. This study systematically investigated magnetic flux density under varying current intensities, distances, coil numbers, and conduit sizes and shapes pubs.acs.org/doi/full/10.10…

#compchem Good read: Good Practices in Database Generation for Benchmarking Density Functional Theory doi.org/10.1002/wcms.1…

New insights into how the asymmetric distribution of cholesterol and anionic lipids, as well as electric fields, influence membrane budding—revealed through coarse-grained MD simulations Qing Liang pubs.acs.org/doi/full/10.10…

🚀 Quantum Chemistry 2025 Workshop ⚛️ June 20–July 3 (Register by April 20) | 📍 Mavjik, Finland Join leading experts to explore the future of reusable libraries in quantum chemistry and spark new collaborations! 🌍✨ Susi Lehtola #compchem helsinki.fi/en/conferences… #QuantumChemistry

A squareplanar Ru(II) complex, that dehydropolymerizes amine boranes to selectively give high molecular BN-polymers at low (0.03 mol%) catalyst loadings and high ToF (250 s-1). And a hydroxy-hydride as the species formed in the induction period as a bonus! onlinelibrary.wiley.com/doi/10.1002/an…

Check out our Perspective on Al(II) chemistry in JACS Au led by Roushan. Thanks to the editors for inviting us to participate in their special issue on sustainable small molecule activation! doi.org/10.1021/jacsau…

I am incredibly excited that our manuscript: "A Platform for the Development of Highly Red-Shifted Azobenzene-based Optical Tools" has been accepted for publication at Angewandte Chemie: doi.org/10.1002/anie.2…🤩

This was fulfilling, but very hard; the key references were often obscure or hard to find, and it's tough to understand how everything fits together. I wrote up a guide to make it easier for future aspiring quantum chemists to learn this material: corinwagen.github.io/public/blog/20…

New preprint! Bond-dissociation energies tell us how strong bonds are; these values are useful but historically slow to compute. Can modern low-cost methods fix this? Jonathon Vandezande and I gathered a dataset of experimental BDEs (below) and benchmarked lots of methods.