Highlights with ‘ADF’

Webinar 6: Multiscale optimisation of OLED materials and devices

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...

AMS2023 Webinar series (spring)

Following the spring and fall AMS2022 webinars (see also the AMS2022 webinar playlist), we organized a new series of webinars this spring with experts on a range of different topics presenting theory, relevant applications, and...

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

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

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...

Analytical Excited State Gradients for Time-dependent Density-functional Theory plus Tight-binding (TDDFT+TB)

Excited states play a vital role in photochemical mechanisms, and therefore, understanding these states directly influences the ability to find new highly luminescent materials, photocatalysts, fluorescent probes, photovoltaic devices, and more. Unfortunately, modelling excited state...

19 June 2023: 1-day AMS workshop in Glasgow

As part of the Scottish Computational Chemistry Symposium 2023, we’ll organize a hands-on workshop at the University of Glasgow on 19 June. You will learn hands on how to use the Amsterdam Modeling Suite with...

Calculation of electric field gradients in Cd (II) complexes

Calculated electric field gradients (EFGs) are instrumental in the interpretation of experimentally determined nuclear quadrupole interactions (NQIs), in terms of electronic and molecular structure. Obtaining accurate calculated EFGs is therefore central for studying the structure...

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

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

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...

AMS2023 New Release Webinar

Register for our FREE AMS2023 Released: New features Webinar! Learn about: Next Wednesday, May 17th, 2023, 15:00 CEST, with our Product Manager Matti Hellström. Register at: https://attendee.gotowebinar.com/register/4341128523549974617 Or subscribe below to get a personal invitation...