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Joint Computation and Theory Club (JCTC)

The JCTC talks are prepared similar to a lecture for the group (aka "a chalk talk"). Presenting groups are encouraged to work and cover these suggested topics together. This will spread out the workload and allow everyone's areas of expertise to show.

The presenting group is encouraged to work through the details by hand before their session, and come prepared with notes to write at the board. The group will also send out relevant reading material ~1 week before their talk to the JCTC members, and will only use the projector to show necessary graphics and figures. Please remember that the JCTC group has a diverse background, so start at the basics and work up from there.

Each of these topics may take more than one and a half meeting, so the schedule is "flexible", and may get pushed back to following semesters.

 

Fall 2019 Schedule

(every other Monday, 4:30-6:30 pm in ACS 203 (Tutoring Room))

Date

Group

Topic

10/7/2019

Pribram-Jones

Adiabatic connection (interpretive tool for determining exchange-correlation)
extended to thermal systems; Calculation of excitation energies for the bi-ensemble

10/21/2019

Isborn

Introduction to time-dependent Schrödinger equation, time-dependent configuration-interaction,
time-dependent Kohn-Sham theory

11/4/2019

Hratchian

Linear Algebra Techniques: Diagonalization, Singular Value Decomposition (SVD), Trotterization

11/18/2019

Shi

Modelling Absorption Spectra Lineshape Function

12/2/2019

Strubbe

GW/BSE methods: a qualitative treatment for understanding description of
excitations in solids, nanosystems and molecules (Part I)

12/16/2019

Strubbe

GW/BSE methods: a qualitative treatment for understanding description of
excitations in solids, nanosystems and molecules (Part II)

 

Spring 2019 Schedule

(every other Wednesday, 5:00-6:30 pm in COB1 322 (Willow Room))

Date

Group

Topic

2/13/2019

Isborn

TDDFT Linear Response Equations

2/27/2019

Isborn/Hratchian

(CI) Energy Contributions for EST / (HH) SCF Convergence methods

3/13/2019

Hratchian

Transition State Optimization

4/3/2019

Shi

Multipole Expansion and Fermi's Golden Rule

4/17/2019

Shi/Strubbe

More time for Shi / Density Functional Perturbation Theory

5/1/2019

Strubbe

Calculating IR and Raman Spectra