Computational Chemistry using Gaussian – Training Services

Computational Chemistry using Gaussian – Training Services provides participants with an in-depth understanding of using Gaussian software for molecular modeling and quantum chemical calculations. The training covers principles of molecular mechanics, ab initio methods, density functional theory (DFT), and geometry optimization. Participants will study input file preparation, job execution, and interpretation of computational results for energy calculations, electronic properties, and reaction pathways. The course emphasizes applications in drug design, materials science, catalysis, and spectroscopy. Case studies highlight real-world scenarios where Gaussian simulations aid in predicting molecular behavior and guiding experimental research. By the end of the program, learners will gain both theoretical knowledge and practical skills to perform computational chemistry effectively using Gaussian.