This special issue of JCP focuses on fundamental phenomena associated with short-range and long-range movement of charge and energy within low-dimensional materials, including those quantum-confined in one, two, or three…

DFT has been the working horse of materials simulation with electronic structure techniques. Generally, predictions about the properties of materials are made with “standard” GGA functionals and the vast majority…

Advances in electronic-structure calculations, structure-based theoretical modeling of quantum dynamics and spectroscopic tools are improving our understanding of photosynthetic energy transfer and energy conversion. Coherent multidimensional spectroscopy has revealed underlying…

Our traditional approach of understanding the properties of an individual object is often based on an extrapolation from the properties of an ensemble. This approach naturally arises from the ease…

With great advances in nano-fabrication and optical characterization the research field of nano-plasmonics has been enjoying a significant growth in the last two decades. Notwithstanding experimental capabilities, theory and computational…

In the last few years, novel theoretical and experimental developments have significantly advanced our understanding of slow dynamics in viscous liquids, glasses, gels, and other dense, disordered materials. These systems…

This Special Issue will feature experimental and theoretical advances reported at the biennial Time-resolved Vibrational Spectroscopy meeting; an international gathering of leading experts in experimental and theoretical aspects of vibrational…

Announcing the Emerging Investigators Collection and Awards! The Journal of Chemical Physics is committed to recognizing the excellent work of early career investigators. We are therefore proud to open the…

Empirical principles, and structure-property relations derived from chemical intuition, have driven for centuries the design of materials and molecules with desirable properties, and the identification of viable synthetic pathways. In…

Recent years have seen the beginnings of maturation of quantum information schemes in both highly specialized laboratory research environments and in engineered technologies for commercial applications. As with classical information…

Memory formation is emerging as a new and productive theme for organizing our understanding of matter and functionality. While the notion of memory originates in the biological world in our…