Accelrys | Blog

Materials Studio Webinar Series Part IV: Spectroscopy Methods in CASTEP

Over the last few weeks we’ve been providing insight into the numerous new functionalities and enhancements included in the latest version of Materials Studio. In our next webinar, Dr. Stewart Clark from the University of Durham and Dr. Keith Refson from the Science and Technology Facilities Council will dive deeper into the spectroscopy methods available in CASTEP. With Materials Studio 5.0, released last month, you can now predict Raman frequencies and intensities for solid-state materials and molecules. Raman is frequently used as a tool for probing the chemistry of in situ experiments. It is valuable since it can characterize both a solid substrate and molecular fragments. The ability to predict Raman spectra for these systems will aid experimentalists in interpreting the spectra and understanding the chemistry of these systems in detail.

Next week’s presenters are part of the CASTEP Developers Group that we have worked very closely with over the years. Read their praises from our own Product Manager, Stephen Todd. In this one-hour webinar they will provide background theory on spectroscopy, demonstrate how to do calculations in CASTEP and share results.

Raman study publication available: Our guest presenters, in collaboration with Accelrys staff, recently completed a study on the Raman spectra functionality in CASTEP. This paper is available for download through the Journal of Physics, free for a limited time. Download the Paper.

Join this team of experts on Dec 2^nd at 8am PST / 4pm GMT as they share their insights and methodologies and answer your questions. Don’t miss this webinar: Register today!