Chemical physics in the context of Mathematical physics

Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria.

Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids).

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. MD simulations are widely applied in chemical physics, materials science, and biophysics.

Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative errors in numerical integration that can be minimized with proper selection of algorithms and parameters, but not eliminated.

In chemical physics, atomic diffusion is a diffusion process whereby the random, thermally-activated movement of atoms in a solid results in the net transport of atoms. For example, helium atoms inside a balloon can diffuse through the wall of the balloon and escape, resulting in the balloon slowly deflating. Other air molecules (e.g. oxygen, nitrogen) have lower mobilities and thus diffuse more slowly through the balloon wall. There is a concentration gradient in the balloon wall, because the balloon was initially filled with helium, and thus there is plenty of helium on the inside, but there is relatively little helium on the outside (helium is not a major component of air). The rate of transport is governed by the diffusivity and the concentration gradient.

Molecular physics is the study of the physical properties of molecules and molecular dynamics. The field overlaps significantly with physical chemistry, chemical physics, and quantum chemistry. It is often considered as a sub-field of atomic, molecular, and optical physics. Research groups studying molecular physics are typically designated as one of these other fields. Molecular physics addresses phenomena due to both molecular structure and individual atomic processes within molecules. Like atomic physics, it relies on a combination of classical and quantum mechanics to describe interactions between electromagnetic radiation and matter. Experiments in the field often rely heavily on techniques borrowed from atomic physics, such as spectroscopy and scattering.

In chemistry and chemical physics, a mesophase or mesomorphic phase is a phase of matter intermediate between solid and liquid. Gelatin is a common example of a partially ordered structure in a mesophase. Further, biological structures such as the lipid bilayers of cell membranes are examples of mesophases. Mobile ions in mesophases are either orientationally or rotationally disordered while their centers are located at the ordered sites in the crystal structure. Mesophases with long-range positional order but no orientational order are plastic crystals, whereas those with long-range orientational order but only partial or no positional order are liquid crystals.

Georges Friedel (1922) called attention to the "mesomorphic states of matter" in his scientific assessment of observations of the so-called liquid crystals. Conventionally a crystal is solid, and crystallization converts liquid to solid. The oxymoron of the liquid crystal is resolved through the notion of mesophases. The observations noted an optic axis persisting in materials that had been melted and had begun to flow. The term liquid crystal persists as a colloquialism, but use of the term was criticized in 1993: In The Physics of Liquid Crystals the mesophases are introduced from the beginning: