Sökning: "Entropy functional"
Visar resultat 1 - 5 av 35 avhandlingar innehållade orden Entropy functional.
1. Nonparametric Statistical Inference for Entropy-type Functionals
Sammanfattning : In this thesis, we study statistical inference for entropy, divergence, and related functionals of one or two probability distributions. Asymptotic properties of particular nonparametric estimators of such functionals are investigated. We consider estimation from both independent and dependent observations. LÄS MER
2. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory
Sammanfattning : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. LÄS MER
3. Continuity and Positivity Problems in Pseudo-differential Calculus
Sammanfattning : The paper deals with various positivity and continuity questions arising in the Weyl calculus of pseudo-differential operators. Let W be a symplectic vector space. LÄS MER
4. Calculations of Reaction Mechanisms and Entropic Effects in Enzyme Catalysis
Sammanfattning : Ground state destabilization is a hypothesis to explain enzyme catalysis. The most popular interpretation of it is the entropic effect, which states that enzymes accelerate biochemical reactions by bringing the reactants to a favorable position and orientation and the entropy cost of this is compensated by enthalpy of binding. LÄS MER
5. Kinetics of Nanoparticle Catalysis from First Principles
Sammanfattning : Modern society depends heavily on heterogeneous catalysis, which creates strong economical and environmental incentives to improve catalyst efficiency. Heterogeneous catalysts are often realized as metal nanoparticles (NPs) supported on oxide surfaces, and catalysts are traditionally developed by trial and error approaches. LÄS MER
