PhD Chemistry - Chemical Theory and Computation in Lancaster United Kingdom | Lancaster University

The interconnected disciplines of Chemical Theory and Computational Chemistry serve as the foundation for the CTC research focus within Lancaster's Chemistry department. Chemical theory aims to explain the fundamental physical principles behind chemical phenomena and the characteristics of atoms, molecules, and materials. These theoretical frameworks often result in mathematical challenges so intricate that they require computational solutions.

At Lancaster, the CTC team investigates both advancements in fundamental chemical system descriptions (chemical theory) and the implementation of novel and established methods to address chemical, physical, and biological challenges (chemical computation). This work enhances understanding and interpretation of experimental findings.

Our research strives to refine methodologies until they can reliably forecast chemical properties of molecules, materials, or systems before actual experimentation. Such predictive capability would enable the design of molecules with precisely customized characteristics.