Emily A. Carter


Born November 28, 1960 in Los Gatos, California, USA.

Arthur W. Marks '19 Professor of Mechanical and Aerospace Engineering and Applied and Computational Mathematics
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Tel: +1-609-258-5391

Address: Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544-5263, USA.

Member, U.S. National Academy of Sciences (2008); Fellow, American Academy of Arts & Sciences (2008); American Chemical Society Award for Computers in Chemical and Pharmaceutical Research (2007); Fellow, Institute of Physics (2004); Fellow, American Association for the Advancement of Science (2000); Fellow, American Physical Society (1998); Fellow, American Vacuum Society (1995); Peter Mark Memorial Award, American Vacuum Society (1995); Medal, International Academy of Quantum Molecular Science (1993); Exxon Faculty Fellowship in Solid State Chemistry (American Chemical Society, 1993); Alfred P. Sloan Research Fellow (1993); Camille and Henry Dreyfus Teacher-Scholar Award (1992); Camille and Henry Dreyfus Distinguished New Faculty Award (1988); National Science Foundation Presidential Young Investigator Award (1988).

Author of:

Over 200 scientific articles published in journals of chemistry, physics, materials science and engineering, mechanical engineering, and applied mathematics.

Important Contributions:

  • Pioneered merging of ab initio quantum chemistry with molecular dynamics and (kinetic) Monte Carlo methods, especially as applied to surface chemistry.
  • Developed linear scaling electronic structure methods for molecules [reducing MRSDCI from O(N6) to linear] and materials [orbital-free density functional theory (OFDFT)], including new kinetic energy density functionals and local pseudopotentials.
  • Using OF-DFT, accurate mesoscale simulations of main group elements containing up to 1 million atoms have been demonstrated.
  • Developed embedded correlated wavefunction methods for metals and ab initio DFT+U theories that combine ab initio quantum chemistry with periodic DFT to treat electronic excited states in condensed matter and strongly correlated materials.
  • Pioneered fully coupled quantum-continuum mechanics multiscale simulations of materials.
  • Obtained key insights into e.g., combustion dynamics, the many-body Kondo state, silicon etching and growth, metal-ceramic interfaces, and chemical degradation and stress-induced failure of metals, leading to new design principles to protect metals under extreme conditions.