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This is the most surprising and exciting result of my career: we were running simulations of NaCl with a neural network potential that implicitly accounts for the effect of the water, ie a continuum solvent model (trained on normal MD) when Junji noticed something strange: 1/n

Hybrid organic–inorganic perovskites: New compound fuses Ruddlesden–Popper & Dion–Jacobson perovskites into a remarkable single structure. If we can learn to mix and match different motifs we create tailor-made optoelectronic materials. pubs.acs.org/doi/full/10.10…

Now online and open access: Article by Yuki Haruta, @msaidaminov & co-workers UniversityOfVictoria Chemistry@UVic UVic Electrical & Computer Engineering Reproducible high-quality perovskite single crystals by flux-regulated crystallization with a feedback loop nature.com/articles/s4416…

Thermal Evolution of the Structure and Luminescence of the Hybrid-Cation-Stabilized [(4AMTP)PbBr2]2PbBr4 Layered #Perovskite By Angshuman Nag et al. IISER Pune Read the paper 👉 go.acs.org/a6L

The emergence of moiré superlattices in twisted two-dimensional halide perovskites has been reported, revealing the emergence of localized bright excitons with enhanced emissions and trapped charge carriers. Huang Lab at Purdue Letian Dou @ Purdue Research at Purdue nature.com/articles/s4156…

Congrats, Ayat!

Looking forward to attending #ACSFall2024 in Denver CO next week! I will be giving a talk on "Solvent-Templated 2D Ruddlesden-Popper Perovskites." 📅 August 18, 2024 ⏰ 4:40 PM - 5:00 PM 📍 (ENFL) Room 507 Hope to see you there! Will be happy to connect and discuss!

It was great to see my previous colleagues from KAUST and UC Berkeley at the #ACSFall2024 meeting in Denver CO last week. Enjoyed catching up and discussing some chemistry!

Accurate Crystal Structure Prediction of New 2D Hybrid Organic–Inorganic Perovskites | Journal of the American Chemical Society pubs.acs.org/doi/10.1021/ja…

Couldn't have asked for better timing #NobelPrize Our new work on 'Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields' is now out on ChemRxiv! #MachineLearning #compchem

Super excited that our paper, led by my former undergrad mentee Jonathan (now PhD student @IllinoisMatSE), is out in Chemistry of Materials !!! 🎉 🥳 We report 7 new low dimensional metal halide structures and identify trends in distortion and optical properties ➡️ pubs.acs.org/doi/full/10.10…

Check out our latest paper in Nature Chemistry on imparting chirality to low-dimensional metal halide semiconductors using non A-site chiral molecules. NREL CHOISE_EFRC Joey Luther Matt Beard nature.com/articles/s4155…

This molecule was crystallized. When they came back a year later the crystal polymerized in a single- crystal-to-single-crystal with the Diels-Alder reaction doi.org/10.1021/jacs.4…

Expanding on our knowledge of ordering in multi-anion metal chalcogenides, now ASAP J. Am. Chem. Soc.. Thanks to my advisor James Hodges Penn State Eberly College of Science Penn State Chemistry and our collaborators from Portland State University.

Thank you TechXplore for covering Ayan Zhumekenov work in J. Am. Chem. Soc. on solvent templated perovskite. National Taxpayers Union

End-to-end crystal structure prediction from powder X-ray diffraction Powder X-ray diffraction (PXRD) is a cornerstone technique in materials science for determining crystal structures; however, conventional approaches can be slow and require significant expertise. Typically,

A book that every materials chemist should read from beginning to end, and I will never get tired of saying that.

Looking forward to presenting my research on 2D perovskites at #ICMAT2025 in Singapore next week. If you’re attending, feel free to stop by my talk: 📅 July 2, 2025 (Wednesday) 🕒 3:15 PM 📍 Symposium N.11, Room 309 Would love to connect and discuss!

Accounts of Chemical Research: Perovskitoids as Functional Materials Read how perovskitoids, structurally related to perovskites, offer pathways for tunable bandgaps, stability, and new properties. An emerging materials class with distinct potential. pubs.acs.org/doi/full/10.10…