Paul Popelier

Paul Popelier is a Professor of Computational Chemistry at The University of Manchester, Department of Chemistry. His research focuses on computational and theoretical chemistry, particularly the accurate solutions of the Schrödinger equation for molecular systems. He investigates the topology of electron density and its applications in various fields, including high-resolution X-ray crystallography, biochemistry, and drug design. His work is rooted in quantum mechanics and includes the development of theories such as Atoms in Molecules (AIM) and Quantum Chemical Topology (QCT). Popelier's research has been widely adopted globally, with tools like MORPHY used in over 65 laboratories. His contributions span computational methods, molecular modeling, and interdisciplinary applications.

Paul Popelier is a Professor of Chemical Theory and Computation whose research focuses on quantum chemical topology, quantum theory of atoms in molecules, force field design, proteins, and pKa prediction. His work explores the characterization of chemical bonds, such as hydrogen bonds and agostic bonds, through electron density analysis. He has developed computational tools like MORPHY and Orient for analyzing molecular interactions and has contributed to the understanding of molecular geometry and bonding. His research also includes machine learning applications in force field design and polarizable water potentials. Popelier's publications emphasize the theoretical and computational aspects of chemical bonding and molecular structure.