Home › Forums › setting the stage › theory versus computation › Theory Vs Simulation This topic has 0 replies, 1 voice, and was last updated 5 months, 2 weeks ago by stan. Viewing 1 post (of 1 total) Author Posts June 27, 2024 at 10:12 pm #10958 stanParticipant Quantum-based material’s calculations such as DFT, use defined functions that are based on theories which grew out of experiments and observation to map material properties to their structures. Author Posts Viewing 1 post (of 1 total) You must be logged in to reply to this topic. Log In Username: Password: Keep me signed in Log In