MobiriseThis course in computational chemistry provides a clear and accessible introduction to the fundamental concepts and practical techniques used in modern molecular modeling. Starting with the basics, it guides learners through essential topics such as quantum chemical foundations, the role and selection of basis sets, and an introduction to Density Functional Theory (DFT). Designed for students, researchers, and professionals, the course blends theory with real-world applications, enabling participants to understand, set up, and interpret computational chemistry calculations with confidence.
In this foundational lecture, Dr. M. A. Hashmi walks you through the core concepts of computational chemistry—perfect for students, researchers, or anyone new to the field. To download this lecture in pdf, click the button below:
In this second lecture of the Computational Chemistry series, Dr. M. A. Hashmi introduces essential theoretical models and dives deeper into how molecular structure is represented computationally. To download this lecture in pdf, click the button below:
In this lecture, Dr. M. A. Hashmi dives deep into the foundation of electronic structure calculations—basis sets—and the critical SCF method used in most quantum chemistry simulations. To download this lecture in pdf, click the button below:
In this lecture, Dr. M. A. Hashmi provides an accessible yet insightful introduction to Density Functional Theory, one of the most widely used methods in modern computational chemistry. To download this lecture in pdf, click the button below:
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