The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics.
Although solids are usually quite dense, in certain special cases the building blocks form an open structure with cavities where guest molecules can be encaged. The amount of guest species…
Announcing the 2023 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…
The simulation of photochemical molecular dynamics has been a major challenge to theoretical chemistry because of the need to simultaneously describe quantum mechanical effects of both nuclei and electrons. Numerous…
Light-matter interaction is an old yet continuously fascinating topic. It is of direct relevance to applications as diverse as solar energy conversion, light-emitting devices, biomedical imaging and quantum information processing.…
Reusable and interoperable software modules are revolutionizing software development in chemical physics. Self-contained codes that replicate features lead to enormous duplication of effort and difficulty in adapting to changing theoretical…
The contributions of Louis E. Brus include pioneering work leading to the discovery of semiconductor nanocrystals, also called quantum dots, in colloidal solutions. These efforts have propelled one of the…
Water shapes our blue planet, forms clouds, drives the climate, is a unique solvent in chemistry, the ‘elixir of life’ in biology, and a complex fluid with a multitude of…
The intense interactions between light and plasmons allow for electromagnetic energy to be used in a variety of novel ways. Plasmon-mediated nonlinear optics enable efficient light modulation through processes like…
This Special Issue features the most recent and exciting experimental and theoretical results in the field of time-resolved vibrational spectroscopy. These results include the work that was reported at the…
This special issue will highlight recent progress in accurate and efficient simulations of realistic open quantum systems, and progress towards simulating many-body or high-dimensional open quantum systems. A common feature…
The Monte Carlo method, which involves generating random numbers to solve physical problems, was originally proposed by John Von Neumann and Stanislaw Ulam. In 1953, Metropolis and colleagues published “Equation…