Energy landscape of the model is analyzed and flow of trajectories is followed to explain temperature dependence of kinetics. Measurement of stretched or shrunken kinetics of folding should help to understand nature of intermediates and ruggedness of the landscape....
32Altmetric Metrics Abstract Metadynamics is an atomistic simulation technique that allows, within the same framework, acceleration of rare events and estimation of the free energy of complex molecular systems. It is based on iteratively ‘filling’ the potential energy of the system by a sum of Ga...
study, with an emphasis on understanding and designing complex energy landscape between molecules and materials across nanoscale. These research projects are organized into four chapters: Chapter 1: Designer Potential Energy Surfaces via Programmable Magnetic Interactions; Chapter 2: Influence of Pore ...
which is used to fit a model anharmonic form for the minima in discrete potential energy bins. The anharmonic fitting effectively extrapolates from a higher temperature range, sampled by parallel tempering, to the minima at the bottom of the potential energy landscape, which are known from a ...
We present a simple mathematical model of glassy dynamics seen as a random walk in a directed weighted network of minima taken as a representation of the energy landscape. Our approach gives a broader perspective to previous studies focusing on particular examples of energy landscapes obtained by sa...
10.1038/ncomms14935 OPEN Exploring the complex free-energy landscape of the simplest glass by rheology Yuliang Jin1 & Hajime Yoshino1,2 For amorphous solids, it has been intensely debated whether the traditional view on solids, in terms of the ground state and harmonic low energy excitations on...
Vehicle automation and driver assistance systems, powertrain control, energy management system, battery management system, thermal and HVAC control, active suspension, chassis control, resilient and secure control, platooning, and multi-vehicle coordinati Multiple unmanned aerial vehicle collaborated three-dim...
Energy profiles govern co-translational complexation To investigate the energy landscape of the diverging complexation of NatA and NatB, we first employed pyDock bindEy module46. pyDock predicts a total complexation energy of −211 kcal/mol for NatA compared to only −118 kcal/mol for NatB ...
Social metabolism, landscape change and land-use planning in the Barcelona Metropolitan Region The present work explores the synergies between socio-metabolic energy use and landscape patterns, starting from the hypothesis that there is a complex and... J Marull,J Pino,E Tello,... - 《Land ...
energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is ...