Computational microstructure physics group

Our mission is to computationally discover atomic-scale phenomena that will help in engineer materials for targeted applications.  For this purpose, our team utilizes atomistic simulations, phase-field modeling and machine learning algorithms to examine a broad category materials and phenomena. This requires us to employ concepts at the intersection of Materials Science, Condensed Matter Physics, Chemistry & Micromechanics. 

Research highlights

In-liquid nucleus captured using unsupervised machine learning

Vibrational trajectories of a benzene-di-carboxylate ligand within a MOF at 300K

Dislocation core structure in a BCC alloy at 1000K

Electron charge density around a hydrolyzed quartz defect site

Deep Choudhuri, Associate Professor

Department of Materials and Metallurgical Engg., New Mexico Tech

Office: Jones 116

Office Phone: 575-835-5465

deep.choudhuri@nmt.edu

Department website