Sökning: "Boltzmann generators"

Hittade 2 avhandlingar innehållade orden Boltzmann generators.

1. 1. Sampling from molecular unnormalized distributions with Deep Generative Models

   Författare :Juan Viguera Diez; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; machine learning; Cheminformatics; conformational sampling; generative models; drug discovery; Boltzmann generators;

   Sammanfattning : This thesis investigates how Deep Generative Models (DGMs) can address important drug discovery problems involving sampling from unnormalized distributions. It consists of two papers focusing on this challenge’s aspects: molecular design and conformational sampling. LÄS MER

3. 2. Radiation and matter: how do they play with each other?

   Författare :Davide Mancusi; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; heavy ions; models; transport codes; Boltzmann equation; Monte Carlo; radioprotection in space; radiotherapy; nuclear reactions;

   Sammanfattning : The propagation of radiation is affected by the presence of matter; at the same time, the physicochemical properties of matter are modified by the passage of radiation. The interplay of radiation and matter is of crucial importance in many modern applications: accelerated heavy ions, in particular, can be used in radiotherapeutical treatments of some cancers; moreover, they are present in the space radiation environment and represent a serious threat to the health of spaceship crews and to the functionality of electronic equipment on board. LÄS MER