Activation Energies and Beyond
نویسندگان
چکیده
منابع مشابه
M-Best-Diverse Labelings for Submodular Energies and Beyond
We consider the problem of finding M best diverse solutions of energy minimization problems for graphical models. Contrary to the sequential method of Batra et al., which greedily finds one solution after another, we infer all M solutions jointly. It was shown recently that such jointly inferred labelings not only have smaller total energy but also qualitatively outperform the sequentially obta...
متن کاملWith Realistic Cuts at Lep Energies and Beyond
After 10 years of steadily increasing the experimental precision at LEP/SLC, there is a strong demand on an update of existing programs for fermion pair production. We present a rederivation of the O(α) Bremsstrahlung corrections to e + e − → ¯ f f for the semi-analytic program ZFITTER. We focus on observables like total cross section and forward-backward asymmetry in the leptonic case with com...
متن کاملActivation energies by molecular dynamics with constraints
Recently Tobias and Broods introduced a method to compute by molecular dynamics with constraints the probability density P(r) = (&r-7)) associated with rate values i of a spatial coordinate r. In this Letter we extend their approach to the case of a general reaction coordinate C(r), an arbitrary function of the configuration-space coordinates. The generalized version is shown to be the integral...
متن کاملActivation Energies for Diffusion in Alloys
The problems involved in calculating correlation factors for diffusion in dilute alloys can be contrasted to those arising in concentrated solid solutions. As one moves from the pure element to the dilute alloy to the concentrated alloy, the calculation becomes progressively more difficult. Because of the complex atom configurations which can occur in concentrated alloys, it usually is not poss...
متن کاملP & Beyond: Solving Energies with Higher Order Cliques
In this paper we extend the class of energy functions for which the optimal α-expansion and αβ-swap moves can be computed in polynomial time. Specifically, we introduce a class of higher order clique potentials and show that the expansion and swap moves for any energy function composed of these potentials can be found by minimizing a submodular function. We also show that for a subset of these ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2019
ISSN: 1089-5639,1520-5215
DOI: 10.1021/acs.jpca.9b03967