This course uses the theory and application of atomistic computer simulations to model, understand, and predict the properties of real materials. Specific topics include: energy models from classical potentials to first-principles approaches; density functional theory and the total-energy pseudopotential method; errors and accuracy of quantitative predictions: thermodynamic ensembles, Monte Carlo sampling and molecular dynamics simulations; free energy and phase transitions; fluctuations and transport properties; and coarse-graining approaches and mesoscale models. The course employs case studies from industrial applications of advanced materials to nanotechnology. Several laboratories will give students direct experience with simulations of classical force fields, electronic-structure approaches, molecular dynamics, and Monte Carlo. This course was also taught as part of the Singapore-MIT Alliance (SMA) programme as course number SMA 5107 (Atomistic Computer Modeling of Materials). Acknowledgements Support for this course has come from the National Science Foundation's Division of Materials Research (grant DMR-0304019) and from the Singapore-MIT Alliance .
Explore the expected cut-off for NEET PG 2024, factors influencing it, and how candidates can prepare for this crucial medical entrance exam.
In a significant move for Welsh politics and social policy, Dawn Bowden has been appointed as the new Minister for Children and Social Care in Wales.
Explore the challenges and changes of the tween to teen transition, and learn strategies to support your child's physical, emotional, and social deve
Learn about the Indian government's proposal to introduce two annual board exams for Class 12 CBSE students starting in 2026. Discover the potential
Report Spam
Question: Lorem ipsum dolor sit amet consectetur adipisicing elit. Est iure, rerum ad porro debitis odio sequi aliquam. Quis officia nobis accusamus, ut ipsum, inventore autem repudiandae voluptates cupiditate iure aliquid?
9 Answers
155
Register now to access exclusive content & personalised recommendations.
Don't miss out.
Sign up today!
Register now to access exclusive content & personalised recommendations.
Don't miss out.
Sign up today!
Register now to access exclusive content & personalised recommendations.
Don't miss out.
Sign up today!