Abstract A prospective study of aqueous solvation energies was done using the SM8 and Zap TK models for a variety of geometries. CM4M charges calculated with M06 and M06-2X were fo...
Benjamin A. Ellingson, A. Geoffrey Skillman, Antho...
Mappings to structured output spaces (strings, trees, partitions, etc.) are typically learned using extensions of classification algorithms to simple graphical structures (eg., li...
Image data are often composed of two or more geometrically distinct constituents; in galaxy catalogs, for instance, one sees a mixture of pointlike structures (galaxy supercluster...
Patterns on real-world objects are often due to variations in geometry across the surface. Height fields and other common parametric methods cannot synthesize many forms of geomet...
We propose to design data structures called succinct geometric indexes of negligible space (more precisely, o(n) bits) that support geometric queries in optimal time, by taking adv...
Prosenjit Bose, Eric Y. Chen, Meng He, Anil Mahesh...