The CaSTL Center develops novel optical and molecular computational technologies. These technologies are disseminated in the following way:

SERS Simulator:

Simulate Surface Enhanced Raman Spectra from polarizabilities and fields and gradients

This tool allows you to dress the molecule's polarizabilities with the local electric fields and gradients from model spheres, dimers, and flat surfaces in order to generate the surface-enhanced Raman spectrum. The tool also allow you to change the molecule's orientation with respect to the surface in order to see how the spectrum changes. Visit for details on how to use this tool.

Newport Corporation

Technology and Applications Center of Newport Corporation. Expertise, personnel and facilities are shared in the process of innovation. CaSTL facilities personnel.  This collaboration has generated joint publications [J. Phys. Chem. B113, 12663-12668 (2009); Optics Express, 18, 19219-19231 (2010)] and a feature article [Laser Focus World 50(5), May 2009], and the foundation for the development of commercial products.



Turbomole is a software package that provides one of the most efficient electronic structure codes, and is constantly updated based on the latest developments in density functional theory (DFT), and time dependent DFT. Turbomole is partly developed by a UCI professor, Filipp Furche, a past member of CaSTL.


Molecular Vista Inc.


Molecular Vista designs, develops, and provides tools that allow its customers to probe and understand matter at the molecular level through quantitative visualization. Its product, Resonance Force Microscope (RFM), combines atomic force microscopy (AFM) and optical spectroscopy to create an ultimate instrument to study material & biological systems with single molecule chemical sensitivity and sub-nanometer topographical information. RFM measures the electronic and Raman resonances via force measurement utilizing the same AFM cantilever/tip that is acquiring the topography, resulting in an easy-to-use, robust, and affordable instrument. Molecular Vista was founded by two industry veterans, Prof. Kumar Wickramasinghe (UC Irvine and formerly with IBM Research) and Dr. Sung Park (co-founder of Park Scientific Instruments).