Current projects involve the calculation of accurate electronic energies using Monte Carlo techniques, the description of excited states of medium-large molecules using new methodology, the investigation of the electronic structure of molecules using localized orbital techniques, the examination of the group-theoretical and topological nature of the multiple solutions of then on-linear self-consistent-field equations, and the developpement of quantum computing methods relevant to chemistry. See the links (left) for more detailed descriptions.

 

Localised Orbital Bonding Analysis

Localised Orbital Bonding Analysis

Symmetry and Topology of SCF Solutions

Symmetry and Topology of SCF Solutions

Life in the Universe

Life in the Universe

Coupled Cluster Monte Carlo

Full Configuration Interaction Quantum Monte Carlo

Holomorphic Hartree-Fock and DFT

Non-Orthogonal Configuration Interaction

Quantum Computing

Reconfigurable Computing