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Welcome to the Multiscale Materials Modeling group at the Department of Metallurgical & Materials Engineering of Indian Institute of Technology Kharagpur. The domain of materials science and engineering originated as an empirical discipline, and remained so for a long duration. It is quite intriguing to note that while an experimentally verifiable and comprehensive theory of general relativity was available by 1920, the first roughly reasonable mechanism for something as common as plastic deformation of metals was not even hypothesized until 1934. A major hindrance against developing a sound theoretical perspective on various aspects of the behavior of materials is the realization that any material is essentially a complex system, where a physical process can seldom be conceived in isolation. Instead, it emerges out of the links among various parts of this system at multiple scales of length and time. Consequently, a search for some kind of master-equation is often believed to be futile. At the best, a theoretician could offer a mathematical model capable of rendering an intuitive view of the concerned phenomenon, whereas a reliable quantitative prediction remained far out of reach.

In spite of the gargantuan difficulties facing the theoreticians, some path-breaking advances over the last three decades have provided new tools, methods, and approaches to the researchers. On the one hand, new physics-based approaches incorporating advanced quantum mechanics, statistical physics, and non-linear dynamics have rendered refreshing insights into the conventional and novel theoretical issues. On the other hand, spectacular developments in scientific computing through new and efficient algorithms, powerful software, and spectacular capabilities of modern hardware has enabled calculations and simulations, that were deemed impossible several years back. Availability of these modern methods and technologies have sharpened the tools of materials scientists to the extent of being disruptive and indispensable to the entire domain of materials science.

In the MMM group, we aim to explore various fundamental and engineering aspects of material science from the theoretical standpoint. In the context of theory development, the group indulges in developing mathematical approaches involving statistical, thermodynamic, and micromechanical models of structural and deformation behavior of materials. For computational modeling, we employ molecular dynamics, continuum modeling, and materials informatics. Our studies involve both bulk and nanoscale systems, where the scope of interest spans a wide variety of materials including metals, metallic glasses, and semiconductors. As a group, we aspire to fill the gap between the fundamental physics of materials and the real life technological applications, thereby making a humble contribution to the current state of understanding and technological capabilities in the domain of materials science.