Density Functional Theory: Common Problems and Solutions
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
Covers the basics of Density Functional Theory, challenges in DFT, and improvements in functional approximations and corrections for accurate calculations.
Explores quantum chemistry applications, emphasizing the role of electron density in predicting chemical properties and addressing challenges in catalyst design, solar energy conversion, and drug synthesis.
Explores various chemical bond types and interactions between atoms through electrons, emphasizing the significance of understanding these bond characteristics.
