ACES QC does contract research for government and industrial sponsors as well as assisting users of the ACES II and ACES III program systems. These programs provide the state-of-the-art in high-level quantum chemistry like coupled-cluster theory, equation-of-motion (EOM)-CC, ab initio dft, and with new developments like the transfer Hamiltonian geared toward large molecule and materials modeling; offers an appropriate approach for most problems. Areas of expertise include Atmospheric Combustion models, Prediction and characterization of materials, Development of computational chemistry methods and software, including the ACES II and III program systems, Energetic molecules and their reactions, Plume identification and detection, Coupled-cluster theory, ab initio density functional theory, New theory development, Transfer Hamilitonian for large molecule modeling as well as Linear scaled coupled-cluster theory.
