Physical Chemistry and Chemical Physics

The “Physical Chemistry and Chemical Physics” section of Chemistry (MDPI) is dedicated to publishing high-impact, original research that deepens our fundamental understanding of chemical systems and processes. We welcome studies that employ experimental, theoretical, computational, or data-driven strategies to uncover the underlying physical principles governing chemical behavior at all scales. This section serves as an interdisciplinary platform connecting chemistry, physics, and materials science, as well as integrating emerging methodologies, including artificial intelligence and machine learning.

We encourage the submission of original research articles, reviews, and perspectives that offer significant theoretical insights, methodological advances, or transformative experimental findings. Interdisciplinary contributions that bridge the fields of physical chemistry and chemical physics with applications of artificial intelligence, machine learning, and data science are particularly encouraged, as are works addressing critical challenges in energy, the environment, and advanced materials.

This section covers the full range of topics within its scope. These topics include, but are not limited to, the following:

• Molecular dynamics and kinetics;
• Quantum chemistry and electronic structure theory;
• Statistical mechanics and thermodynamics;
• Spectroscopy and molecular interactions.

• AI/ML applications in physical chemistry and chemical physics;
• Multiscale modeling approaches and novel computational algorithms;
• Relevant novel experimental techniques.

• Energy conversion and storage;
• Surface science and interfacial phenomena;
• Soft matter and complex systems;
• Environmental and atmospheric chemistry;
• Combustion and space chemistry.

Through this section, Chemistry aims to foster innovation and collaboration across disciplines, supporting the development of new paradigms and practical solutions within the realm of physical chemistry and chemical physics.