1.021/3.021/10.333/22.00 Intro to Modeling & Simulation
Spring 2019
Instructors: Markus J Buehler, Rafael Gomez-Bombarelli
TA: Francisco Martinez
Lecture:
TR3-4.30
(4-231)
Recitation 1: M4-5
(8-205)
Recitation 2 (same content as Monday recitation): F4-5
(8-205)
Information:
Announcements
Problem set 6 - Optional
Dear class,in case you are already missing the DFT-fun of problem set 5, an optional problem set 6 has been posted in stellar. This is on DFT of periodic systems.
Enjoy!
Fran
Announced on 07 May 2019 3:56 p.m. by Francisco Martinez
Quiz example
Dear Class,a quiz practice has been posted in stellar, together with the solutions. Try to do it completely before checking the key!
Good luck!
Fran
Announced on 07 May 2019 3:20 p.m. by Francisco Martinez
Problem set 5 extension
Dear class,the deadline for Pset 5 has been extended till Tuesday at noon.
Fran
Announced on 02 May 2019 6:08 p.m. by Francisco Martinez
Problem set 5
Dear Class,problem set 5, together with some additional files to solve it, has been posted on Stellar. It is due on Friday May 3. It is on DFT calculations of OLEDs, which is an exciting material that we are starting to cover this week.
Enjoy!
Fran
Announced on 22 April 2019 11:01 a.m. by Francisco Martinez
Problem set 4 and paper for reading
Dear Class,problem set 4 has been posted on stellar. The deadline is April 19.
We also posted a paper on the electronic structure of the Oxygen molecule, following last recitation. As the authors say "a triplet ground state for Oxygen does make one sit up". So we hope you sit up and enjoy.
Best,
Fran
Announced on 09 April 2019 3:33 p.m. by Francisco Martinez
