Research Interests

My research interests lie in developing computational and mathematical tools to address various aspects of materials behavior, which exhibit complexity and structure on varying length and time scales. My work draws ideas from quantum mechanics, statistical mechanics and homogenization theories to develop multi-scale models from fundamental principles, which provide insights into the complex behavior of materials. My objective is to use these insights to develop novel applications with existing materials as well as facilitate the design and development of new materials with specific material properties and functionality.

A problem of great interest is to develop electronic structure calculations at macroscopic scales, which enables the study of materials properties across various length scales in a seamless manner. This problem is multi-faceted with challenges arising from the complexity of electronic structure theories, related mathematical issues and numerical methods. For a brief description on the progress made in addressing this problem, please click on the link below.

• Electronic structure calculations at macroscopic scales

Information for prospective graduate students

Selected Publications

• Gavini, V., Role of macroscopic deformations in energetics of vacancies in aluminum, Phys. Rev. Lett. 101 205503 (2008). (Cover Article)

• Gavini, V., Bhattacharya, K., Ortiz, M., Vacancy clustering and prismatic dislocation loop formation in aluminum, Phys. Rev. B 76, (2007) 180101(R).

• Gavini, V., Bhattacharya, K., Ortiz, M., Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation, J. Mech. Phys. Solids 55(4) (2007) 697-718.

• Gavini, V., Knap, J., Bhattacharya, K., Ortiz, M., Non-periodic Finite-element formulation of orbital-free density-functional theory, J. Mech. Phys. Solids 55(4) (2007) 669-696.

    Full list

Honors and Awards

• Robert J. Melosh Medal 2007, ETH Zurich.

• Allan Acosta endowed Fellowship 2003, California Institute of Technology.
• Institute Silver Medal 2003, Indian Institute of Technology.

Last modified December 16, 2008