Machine learning has become a powerful tool to replace or accelerate electronic-structure calculations, for example by predicting interatomic potentials with high accuracy and low cost. Increasingly, ML is also integrated…

Thanks to decades of effort by the electronic structure community, and numerous theoretical and algorithmic advances, many of them published in The Journal of Chemical Physics, researchers now have access…

This Special Topic honors the memory of Rudolf (Rudi) Podgornik, a pioneer in the statistical physics of Coulomb systems—electrolytes, ionic liquids, polyelectrolytes, and charged membranes—and in fluctuation-induced forces such as…

This Special Topic honors the outstanding contributions of Prof. Tahei Tahara to molecular spectroscopy. Beginning his career in Raman spectroscopy, he has pioneered groundbreaking research in ultrafast spectroscopy, interface-selective nonlinear…

The Festschrift honoring Gerhard Hummer’s 60th birthday highlights his pioneering contributions to theoretical and computational biophysics. His work has advanced our understanding of protein folding landscapes, molecular motors, ion channels,…

This Special Topic honors the memory of Axel Becke, recognizing his seminal contributions to density functional theory. Almost all of Axel’s scientific output (90+ papers, including 14 articles with more…

The Festschrift honors Prof. Murugappan Muthukumar (Muthu) for his foundational contributions to polymer physics and his distinguished service as Associate Editor of the Journal of Chemical Physics. His work, spanning theory,…

Biological systems are inherently non-equilibrium, and therefore coarse-grained methods, models or experiments, even at the molecular scale, may have to account for memory effects and hysteresis. This special topic is…

Hajime Tanaka is the rare kind of scientist who can masterfully combine experiments, simulations, and theory to tackle deep scientific questions. The scope of his research spans every corner of…