Martina Kaledin

Martina Kaledin is a Professor in the Department of Chemistry & Biochemistry at Kennesaw State University, Georgia. Her research focuses on computational chemistry methods for molecular structure and dynamics, particularly in protonated clusters and atmospheric chemistry systems. She teaches undergraduate and graduate courses including General Chemistry, Physical Chemistry, and Directed Applied Research.

Her research program develops molecular dynamics techniques using MP2 and DFT methods to analyze vibrational spectra, with recent work on permutationally invariant polynomial approaches for potential energy surfaces. Current projects aim to enhance computational efficiency through analytical potential energy surfaces while maintaining accuracy.

Key trends in her 15 most recent publications (2012–2025) include: quantum Monte Carlo methods, polarizability-driven simulations, polynomial fitting techniques, and studies of carbon/nitrogen hydrides. She collaborates with Joel Bowman and Anatoly Kaledin, and has supervised numerous student researchers.

Scientific Awards

• DAAD fellow (1999)
• Emerson Center Visiting Fellow (2000)

Her advising program integrates undergraduate and graduate students into computational research projects, providing training in quantum methods, simulation tools, and spectral analysis. She has contributed to software development for molecular dynamics and polarizability calculations.