Covers the efficient computation of heat capacity in metal organic frameworks using quantum classical methods and explores advanced PIMD techniques beyond benchmarks.
Discusses the distribution of organics in multiphase systems and demonstrates scenarios involving air contaminants, Koc estimation, and contaminant retardation in groundwater.
Covers techniques for mapping protein-protein interactions, including affinity purification, proximity labeling, and co-fractionation, emphasizing their applications in neuroscience.
