Highlights with ‘theoretical chemistry’

Webinar 6: Multiscale optimisation of OLED materials and devices

5 July 2023

Join our final FREE webinar in our Spring Webinar series 2023 on Wednesday 28nd June, at 15:00h CEST, with Dr. Engin Torun from Simbeyond, and Dr. Robert Rüger, from SCM, to learn about Multiscale optimisation...

Webinar 5: NMR shielding, J-coupling and EFG analysis with NBOs

14 June 2023

Join our next FREE webinar in our Spring Webinar series 2023 on Thursday 22nd June, at 15:00h CEST, with Professor Jochen Autschbach, to learn about NMR shielding, J-coupling and EFG analysis with NBOs. Presenter: Jochen...

Webinar 4: Time Dependent Density Functional Theory (TDDFT) + Tight Binding (TB) gradients

8 June 2023

Join our next FREE webinar in our Spring Webinar series 2023 on Wednesday 14th June, at 15:00h CEST, with University Distinguished Professor at Kansas State University Christine Aikens, and Dr. Shana Havenridge, Postdoctoral Appointee at...

Webinar 3: Excitation energy calculations with (nearly) exact Kohn-Sham potentials

25 May 2023

Join our next FREE webinar in our Spring Webinar series 2023 with SCM’s founder Professor Evert Jan Baerends! This is a unique opportunity to deepen your knowledge about computational chemistry and some of the theory...

Webinar 2: Discovering the uniqueness of hydrogen bonding with the Energy Decomposition Analysis

17 May 2023

Join our next FREE webinar in our Spring Webinar series 2023 to learn about the Energy Decomposition Method (EDA) and its applications (EDA tutorial). Next Wednesday, May 24th, 2023, 15:00 CEST, with Professor Célia Fonseca...