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