Materials Simulation & Artificial Intelligence Laboratory
MATSAIL@TAMU designs and fabricates novel structural and functional materials using atomistic and multi-scale simulations and AI/ML for
next-generation electronics, energy, and environment applications
Engineering the next generation of energy and electronic devices starts with the design and development of new materials, surfaces and interfaces with extraordinary properties. MATSAIL researchers investigate, design, and control materials at multiple scales ranging from the length scale of an electron to that of the whole device.
Using our diverse expertise in electronic structure theory, atomistic simulations, multiscale modeling, data science, Artificial Intelligence and Machine Learning, MATSAIL researchers develop novel material solutions for a more sustainable, safer and more inclusive future.
Predictive Design and Manufacturing
Ultrafast Phenomena in Materials
Digital Twins of Surfaces and Interfaces
Towards computational polar-topotronics: multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires
T. Linker, S. Fukshima, R. K. Kalia, A. Krishnamoorthy, A. Nakano, K. Nomura, K. Shimamura, F. Shimojo, and P. Vashishta
Frontiers in Nanotechnology 4, 884149 (2022)