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Our paper on the theory for proton-couples energy transfer (PCEnT) is now published in The Journal of Chemical Physics! We developed a general theory for this recently discovered mechanism. Some applications are coming soon! pubs.aip.org/aip/jcp/articl…

Check out our paper in The Journal of Chemical Physics We will use this tech beyond the diffraction limit to fabricate FULL-METAL chiral nanostructures. "Anisotropic Growth of Au-Ag Heteronanostructures through Plasmon-Induced Reduction" doi.org/10.1063/5.0216…

A summer treat from Filippo Bigi and Sergey Pozdnyakov, now published on The Journal of Chemical Physics. Fully local, kernel based #ML potentials that match the accuracy of equivariant message passing? With #wigner kernels, you can! pubs.aip.org/aip/jcp/articl…

Team member and Northwestern Chemistry graduate student Alex Krotz accounts for the optical lineshapes of MoS2 based on reciprocal-space quantum–classical dynamics. Out in The Journal of Chemical Physics! Funding by U.S. National Science Foundation. pubs.aip.org/aip/jcp/articl…

FF-QD uses a hierarchy of approximations for a scalable approach to simulate excited state nuclear dynamics, promising to account for explicit environment effects during photochemical processes. Learn more 👇 aippub.org/3RQSesU

A new and transparent formulation of time-dependent coupled cluster with dynamical basis functions, offering fully bivariational, numerically stable, and convergent dynamics. Center for Chemistry of Clouds aippub.org/3RQSesU

College of Chemistry Out in print now at The Journal of Chemical Physics pubs.aip.org/aip/jcp/articl…

Wondering how energy landscapes, which have fundamental importance in physics and chemistry, might be applied to broader fields of natural sciences and humanities? Then read the latest perspective featured on the cover from J. C. Schön (Max Planck Institute for Solid State Research)! doi.org/10.1063/5.0212…

The authors investigate the complex dynamical response of valence-limited fluids by computer simulations, finding a rich and fascinating behavior that can be traced back to the bonding process. @lrovigatti aippub.org/3LO2Ghv

Time-resolved electron diffraction elucidates the laser flash melting process that forms the basis of the emerging field of microsecond time-resolved cryo-EM. Ulrich Lorenz aippub.org/3LNyseA

We revisited the origin of nature of initial solvation, if relaxation happens via motion of freely moving or perturbated solvent molecules, giving rise to a Gaussian or an exponential component: The Journal of Chemical Physics AIP Publishing Department of Chemical Sciences IISER Mohali Sakshi Chawla pubs.aip.org/aip/jcp/articl…

Learn how we achieved transferable long-time dynamics across the full range of tert-butanol/water mixture compositions with a single implicit solvent model. Van der Vegt Lab aippub.org/4dc8ptO

🚨 i-PI 3.0 is out! 🚨 From 2x to 10x faster🏃 built-in ensemble propagation for #ML, driven MD, better docs & examples, and ofc all the best path integral algos - now also for bosons🤩 Read the (highlighted) The Journal of Chemical Physics paper pubs.aip.org/aip/jcp/articl… and update pip install -U ipi

Deputy Editor Mischa Bonn will be presenting at #ACSFall2024 tomorrow! Learn more about our editors here: aippub.org/45LgPEn

The Journal of Chemical Physics is proud to sponsor the "New Methods and Applications of Raman Spectroscopy and Microscopy" symposium at #ACSFall2024, organized by NancyLevinger and Jyotishman Dasgupta! Learn more 👇 aippub.org/4dmGuYc

Associate Editor David Sherrill is presenting today at #ACSFall2024! Learn more about our editors here: aippub.org/45LgPEn

Another great lunch with JCP editors, advisory board, and recent award winners at #ACSFall2024! Thanks for coming Tim Lian, Emory, JCP-EIC David Sherrill Yang's Group Andrés Montoya-Castillo David Beratan Group Lu Wei Karen I. Winey Jyotishman Dasgupta Fang Liu Barak Hirshberg 🎗️ Jenny Stein , & more!

Looking for the AIP Publishing #earlycareer happy hour happening now to 5pm? Look for the 5-foot traffic cone, journal manager Jenny Stein! We're at the end of the 700s row in the expo hall #ACSFall2024