Gerbrand Ceder




Professor Ceder's group specializes in designing and understanding advanced materials by means of computational modeling and experimental research. By combining theoretical and experimental efforts in one group, the effectiveness of both is enhanced. First principles computations, whereby the properties of materials are predicted from basic physics, has become one of the most powerful tools in Materials Research and Design. This group develops these tools and applies them to technologically relevant problems, often in collaboration with key industrial or government partners. Materials phenomena include: phase stability and cohesion in solids, diffusion, interaction of matter with radiation, and phase transformation. Applications have included: high temperature superconductors, electrodes for rechargeable batteries, and high temperature alloys. The environment is highly multidisplinary, containing students with a range of backgrounds making use of cutting edge techniques from such fields as materials science, engineering, chemistry, physics, computer science, and mathematics.

Selected Publications

K. Kang, Y.S. Meng, J. Bréger, C. Grey, G. Ceder, "Electrodes with High Power and High Capacity for Rechargeable Li Batteries," Science, 311, 977–980 (2006).

C. Fischer, K. Tibbetts, D. Morgan, G. Ceder, "Predicting Crystal Structure: Merging Data Mining with Quantum Mechanics," Nature Materials, 5 (8), pp. 641–6 (2006).

F. Zhou, T. Maxisch, G. Ceder, "Configurational Electronic Entropy and the Phase Diagram of Mixed-Valence Oxide: The Case of LixFePO4," Physical Review Letters, 97, 155704 (2006).

L. Wang, F. Zhou, Y. S. Meng, G. Ceder, "First-Principles Study of Surface Properties of LiFePO4: Surface Energy, Structure, Wulff Shape, and Surface Redox Potential," Physical Review B, 76, 165435 (2007).

B.C. Han, C.R. Miranda, and G. Ceder, "Effect of Particle Size and Surface Structure on Adsorption of O and OH on Platinum Nanoparticles: A First-Principles Study," Physical Review B, 77, 075410 (2008).

Van de Walle, G. Ceder, "The Effect of Lattice Vibrations on Substitutional Alloy Thermodynamics," Reviews of Modern Physics, 74, 11–45 (2002).

Related News

Mystery solved: Why seashells’ mineral forms differently in seawater
Century-old riddle about aragonite formation is unraveled by scientists’ atomistic simulation.
March 3, 2015
Disordered materials hold promise for better batteries
MIT researchers find that contrary to conventional wisdom, cathodes made of disorde
January 9, 2014
Materials Genome Project continues to grow
In 2006, Professor Gerd Ceder began the Materials Genome Project— which is now has tens of thousands of compounds in a database used by more than 3000 researchers.
May 6, 2013
Technology Review reports on tomorrow's breakthroughs
See this article in Technology Review to learn more about manufacturing in the US.
December 20, 2011
The Materials Project, an immensely powerful new research tool
Several years ago, Prof.
December 20, 2011
Materials Project provides database of materials properties
The Materials Project, a collaboration between MIT and LBNL, uses computers to determine and predict the properties of a material, making it possible to find the right material, without months or y
November 4, 2011
Prof. Ceder to present NSF Lecture
The NSF invites the public to a series of lectures that aim to promote discussion of scientific issues which will have a long impact on our society. Prof.
October 31, 2011
New analysis of common battery cathodes August 12, 2011
DMSE faculty participate in Manufacturing Round Table discussion
Prof. Gerd Ceder and Prof. Christine Ortiz were participants in an MIT roundtable discussion titled, The Future of Manufacturing — Advanced Technologies.
April 1, 2010