Kai Welke (Nagoya U)

Towards linear-scaling DFTB molecular dynamics

Verena Hagemann (BCCMS)

Implementation of an electron phonon correction for charge transport modeling in open quantum systems

Bachelor Thesis: 3pm

Frank Stuckenberg (BCCMS)

Quantumness of particle transport in a molecular wire

Bachelor Thesis: 4pm

Sergei Manzhos (N.U. Singapore)

Ab initio modeling of anode materials for Li, Na, and Mg ion batteries: post-Li issues, role of different phases, and computational matters

Special Time and Day: Tuesday 3pm

Aijun Du (Queensland University of Technology, Australia)

Young Hee Lee (Sungkyunkwan University, Korea )

Wonderland in 2D materials

SPECIAL DATE AND TIME: 4:00 pm, room 0.50/0.51

Lukas Wittenbecher (BCCMS)

Investigation of various parametrization strategies for the DFTB method (Bachelor's Thesis)

Bachelor's Thesis Progress Meeting

SPECIAL DATE AND TIME: 2:00 pm, room 0.50/0.51

Oded Hod (Tel Aviv U., Israel)

A State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions

SPECIAL TIME: 11am, room 0.50/0.51

Michael Fischer (Fachgebiet Kristallographie, Fachbereich Geowissenschaften, U. Bremen)

Studying adsorption in microporous materials: Influence of pore topology and specific interaction sites

Adriel Dominguez (BCCMS) Thesis Defense.

SPECIAL TIME: 2:00 pm, room 0.50/0.51

05.05

Alexey A. Popov (Leibniz Institute for Solid State and
Materials Research)

"Molecular structure and internal dynamics of endohedral fullerenes: experimental and theory"

Li-Ming Yang (Korean Institute of Science and Technology)

Engineering the band gap and optical response properties of MOFs and COFs [special time: 11:00am]

Kavan Modi (Monash University, Australia)

Measuring heat and a non-equilibrium quantum Landauer principle

Molud Kaviani (BCCMS)

The NV (nitrogen+vacancy) center in diamond - a DFT study -

Adriel Dominguez (BCCMS)

A Density Functional Tight Binding scheme with self-consistent dual density matrix

Johannes Lischner (UC Berkeley/Lawrence Berkeley National Laboratory)

Understanding many-particle effects: accurate theories for liquids and electronic excited states in solids

13.01  

Gabriele Penazzi (BCCMS)