Alex’s paper with Rivard and Müller-Buschbaum groups accepted for publication |

Alex’s collaborative paper with the Rivard (Alberta) and the Müller-Buschbaum (Munich) research groups has been accepted for publication in Macromolecular Rapid Communications. The paper is titled “Bandgap-Tuning in Triple-Chalcogenophene Polymer Films by Thermal Annealing” and Alex’s contribution was TD-DFT computations for units of the polymer.


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September 19th, 2017

Congratulations to Inara on paper accepted in ACS-AMI

Congratulations to Inara de Aguiar (post-doc co-supervised with Prof. Gabriel Cruz e Souza, UFMT, Brazil) on her paper accepted in […]

September 13th, 2017

Group welcomes visiting Professor Ali Ilkhani

The group is happy to welcome Professor Ali Ilkhani (Islamic Azad University, Iran) as a visiting professor in the lab […]

September 13th, 2017

Group welcomes new students (and welcomes back some too)!

The group welcomes a number of new students at the start of September: Zhibo Wang (MSc student), Andrew Wiedemann (CHEM […]

August 5th, 2017

Congratulations to Ekadashi on publication of his HONO PES paper in PCCP

Ekadashi’s paper entitled “A Ground State Potential Energy Surface for HONO based on a Neural Network with Exponential Fitting Functions” […]

June 20th, 2017

Congratulations to Tong on being accepted to EPFL.

Congratulations to Tong who has been accepted into EPFL Lausanne, Switzerland to begin a Master’s of Chemistry program this fall.

June 20th, 2017

Congratulations Dr. Gedik!

Comgratulations to Melis who successfully defended her PhD thesis “Quantum Chemical Investigations of Structural and Photophysical Properties of Emissive RNA Nucleobase […]

June 14th, 2017

Alex continues his collaboration at UFMT

Alex spends two weeks visiting the Federal University of Mato Grosso (UFMT) in Cuiaba, Brazil. The visit continues his visiting […]

June 14th, 2017

Paper with Rivard and Müller-Buschbaum groups makes cover of MRC

Alex’s collaborative paper with the Rivard (Alberta) and the Müller-Buschbaum (Munich) research groups is published in and makes the cover of Macromolecular Rapid […]

June 3rd, 2017

Alex and Ekadashi’s review accepted into JTCC

Alex and Ekadashi’s review “Fitting potential energy surfaces to sum-of-products form with neural networks using exponential neurons” is accepted for […]

May 12th, 2017

Congratulations to Cat and Zhibo on presentation awards at WCUCC 2017

Brown group sweeps 1st prizes for computational chemistry presentations at WCUCC 2017! Congratulations to Zhibo for winning 1st prize (oral […]