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Dr. Tobias uses atomic-scale computer simulation techniques based on classical and quantum mechanics to study the structure and dynamics of biological molecules and interfaces between aqueous solutions—like sea salt—and water that are important in atmospheric chemical processes. His computer simulations are invaluable in interpreting the chemistry of complex systems in the atmosphere, including how air pollutants interact with biological systems like the human lung. A substantial portion of research in the Tobias group is devoted to the development, implementation, and optimization of novel simulation methodology and analysis tools. Current research in the group may be organized into two broad categories: (1) structure and chemical dynamics at aqueous and organic interfaces relevant to heterogeneous atmospheric chemistry; (2) structure, stability, dynamics, and function of membranes and membrane proteins.
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JOURNAL OF PHYSICAL CHEMISTRY Bno. 5 (2024): 1266-1274
Journal of computational chemistry (2023)
Physical Chemistry Chemical Physicsno. 5 (2023): 3930-3941
JOURNAL OF COMPUTATIONAL CHEMISTRYno. 19 (2023): 1658-1666
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