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Title
Postdoctoral Scholar -
Email
berrens1@llnl.gov -
Organization
PLS-PHYS-PHYSICS
Research Interests
Dr. Berrens’s research focuses on leveraging high-performance computing to apply advanced computational simulation methods-including classical molecular dynamics, first-principles electronic structure techniques, and machine-learning-accelerated models-to investigate materials under extreme conditions and at complex interfaces at the atomic scale. Her research is driven by the goal of developing a fundamental and predictive understanding of these systems to enable molecular-level interpretation of experimental results and guiding future experimental design. Specific examples include:
- Performing large-scale molecular dynamics simulations to compute and interpret vibrational spectra of ice surfaces.
- Investigating the structural, dynamical, and electronic properties of aqueous systems under extreme confinement within two-dimensional materials.
- Benchmarking widely used equation-of-state and ionic transport models in the warm dense matter regime.
News Highlights
Ph.D. Physical Chemistry, University of California Davis, Davis, CA
.S. Chemistry and Mathematics, University of Puget Sound, Tacoma, WA
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