Emily A. Carter

Home Department: School of Engineering and Applied Science
Email Address: 
Office Location: 
C230 Engineering Quad

Research Interests:  Ab initio quantum mechanics-based predictions of energetics, kinetics, and dynamics of atomic and molecular ion scattering, adsorption, diffusion, and reactions on surfaces, and of heterogeneous interface formation and failure for semiconductors, metals, and ceramics; Multi-scale modeling of the response of materials to chemical and mechanical stresses; Recent emphasis on applications related to energy conversion and conservation; Development of new saddle point search algorithms, electron correlation, pseudopotential, embedding, and density functional methods, linear scaling electronic structure methods, as well as the development of simulation tools to bridge length scales