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Walter C. Ermler, Ph.D.


Office: BSE 1.104E
Phone: (210) 458-7005

Areas of Specialization

» Computational spectroscopy
» Modeling heavy-element compounds
» Theoretical chemistry


Ph.D. in Physical Chemistry; Ohio State University
M.S. in Physical Chemistry; Ohio State University
B.S. in Chemistry; Northern Illinois University


Difference densities from RuO2+ spin-orbit
configuration interaction wave functions

Research Interests

Research efforts encompass the disciplines of chemistry, physics, materials science, and computational science, including the electronic structures and spectra of metal and semi-conductor clusters, molecules and complexes comprised of heavy elements, vibrational analysis, polymer/surface interactions, radiative processes, and surface phenomena. Large scale computing, code development, and code implementation are ongoing. Applications codes for atomic and molecular electronic structure calculations and molecular vibrational-rotational analysis have been published and are maintained. New developments in relativistic pseudopotential theory and high-order perturbation theory of molecular motion are applied in large-scale computational studies encompassing the characterization of lanthanides and actinides in chemical waste, substrate/polymer interactions, heavy metal compounds, surface interactions and fullerene structures and spectra.



Click here for a list of publications.