Three-Dimensional Motion Estimation Using Shading Information in Multiple Frames

A new formulation for recovering the structure and motion parameters of a moving patch using both motion and shading information is presented. It is based on a new differential constraint equation (FICE) that links the spatiotemporal gradients of irradiance to the motion and structure parameters and the temporal variations of the surface shading. The FICE separates the contribution to the irradiance spatiotemporal gradients of the gradients due to texture from those due to shading and allows the FICE to be used for textured and textureless surface. The new approach, combining motion and shading information, leads directly to two different contributions: it can compensate for the effects of shading variations in recovering the shape and motion; and it can exploit the shading/illumination effects to recover motion and shape when they cannot be recovered without it. The FICE formulation is also extended to multiple frames.

The Quadric Reference Surface: Theory and Applications

The conceptual component of this work is about "reference surfaces'' which are the dual of reference frames often used for shape representation purposes. The theoretical component of this work involves the question of whether one can find a unique (and simple) mapping that aligns two arbitrary perspective views of an opaque textured quadric surface in 3D, given (i) few corresponding points in the two views, or (ii) the outline conic of the surface in one view (only) and few corresponding points in the two views. The practical component of this work is concerned with applying the theoretical results as tools for the task of achieving full correspondence between views of arbitrary objects.

Molecular computations for reactions and phase transitions: applications to protein stabilization, hydrates and catalysis

In this work we have made significant contributions in three different areas of interest: therapeutic protein stabilization, thermodynamics of natural gas clathrate-hydrates, and zeolite catalysis. In all three fields, using our various computational techniques, we have been able to elucidate phenomena that are difficult or impossible to explain experimentally. More specifically, in mixed solvent systems for proteins we developed a statistical-mechanical method to model the thermodynamic effects of additives in molecular-level detail. It was the first method demonstrated to have truly predictive (no adjustable parameters) capability for real protein systems. We also describe a novel mechanism that slows protein association reactions, called the “gap effect.” We developed a comprehensive picture of methioine oxidation by hydrogen peroxide that allows for accurate prediction of protein oxidation and provides a rationale for developing strategies to control oxidation. The method of solvent accessible area (SAA) was shown not to correlate well with oxidation rates. A new property, averaged two-shell water coordination number (2SWCN) was identified and shown to correlate well with oxidation rates. Reference parameters for the van der Waals Platteeuw model of clathrate-hydrates were found for structure I and structure II. These reference parameters are independent of the potential form (unlike the commonly used parameters) and have been validated by calculating phase behavior and structural transitions for mixed hydrate systems. These calculations are validated with experimental data for both structures and for systems that undergo transitions from one structure to another. This is the first method of calculating hydrate thermodynamics to demonstrate predictive capability for phase equilibria, structural changes, and occupancy in pure and mixed hydrate systems. We have computed a new mechanism for the methanol coupling reaction to form ethanol and water in the zeolite chabazite. The mechanism at 400°C proceeds via stable intermediates of water, methane, and protonated formaldehyde.