Computational Materials Science

Computational Materials Science involves and enables the visualization of concepts and materials processes which are otherwise difficult to describe or even imagine. Among other things, this field of allows materials to be designed and tested efficiently.

Researchers

Iwnetim Abate

Assistant Professor; Chipman Career Development Chair in Materials Science and Engineering

Computational Materials Science; Electrochemistry; Energy Storage; Magnetic Materials; Materials Chemistry; Surfaces, Interfaces, and Thin Films

Alfredo Alexander-Katz

Professor of Materials Science and Engineering

Bio; Biophysics; Computational Materials Science; Condensed Matter Physics; Nanotechnology; Polymers; Self Assembly

Donald Baskin

Lecturer

Ceramics; Computational Materials Science; Corrosion and Environmental Effects; Manufacturing; Materials Processing; Materials Systems and Analysis; Fracture, Fatigue, and Failure of Materials; Mechanical Behavior of Materials; Metallurgy; Structural Materials; Composites

Ming Dao

Principal Investigator & Director, Nanomechanics Lab; Principal Research Scientist, DMSE

Biomaterials; Computational Materials Science; Fracture, Fatigue, and Failure of Materials; Mechanical Behavior of Materials; Metallurgy; Nanotechnology; Surfaces, Interfaces, and Thin Films

Rodrigo Freitas

AMAX Assistant Professor of Materials Science and Engineering

Computational Materials Science; Mechanical Behavior of Materials; Metallurgy; Phase Transformations; Thermodynamics

Jeffrey C. Grossman

Head of the Department of Materials Science and Engineering; Morton and Claire Goulder and Family Professor in Environmental Systems; Professor of Materials Science and Engineering; MacVicar Fellow

Computational Materials Science; Condensed Matter Physics; Energy Storage; Materials Chemistry; Nanotechnology

Ju Li

Battelle Energy Alliance Professor of Nuclear Science and Engineering and Professor of Materials Science and Engineering

Ceramics; Computational Materials Science; Condensed Matter Physics; Electrochemistry; Electronic Materials; Energy Storage; Environment; Corrosion and Environmental Effects; Manufacturing; Materials Processing; Fracture, Fatigue, and Failure of Materials; Mechanical Behavior of Materials; Metallurgy; Nanotechnology; Nanomechanics; Phase Transformations; Semiconductors; Structural Materials; Composites; Thermodynamics; Transport Phenomena

Bilge Yildiz

Breene M. Kerr (1951) Professor; Professor of Nuclear Science and Engineering; Professor of Materials Science and Engineering

Ceramics; Computational Materials Science; Electrochemistry; Corrosion and Environmental Effects; Materials Chemistry; Nanotechnology; Surfaces, Interfaces, and Thin Films; Transport Phenomena

News

Toward new, computationally designed cybersteels

February 4, 2023

With a grant from the Office of Naval Research, MIT researchers aim to design novel high-performance steels, with potential applications including printed aircraft components and ship hulls.  

Greg Olson to join DMSE

December 30, 2019

Professor Greg Olson will join our department as the Thermo-Calc Professor of the Practice, effective January 2020.