Advanced Science, EarlyView.Through a mixed‐ligand strategy that precisely regulates pore size and framework polarity, the Xe adsorption behavior is transformed from flexible to near‐rigid. ZIF‐7‐Cl(20) achieves sensitive recognition, efficient capture, and high selectivity for Xe, enabling high‐efficiency separation from Xe/Kr mixtures.
Tao Zhao +10 more
wiley +1 more source
Sampling of the conformational landscape of small proteins with Monte Carlo methods. [PDF]
Sci Rep, 2020 Heilmann N +6 more
europepmc +1 more source
Smart Monte Carlo: Various tricks using Malliavin calculus [PDF]
Current Monte Carlo pricing engines may face computational challenge for the Greeks, because of not only their time consumption but also their poor convergence when using a finite difference estimate with a brute force perturbation.
Eric Benhamou
core
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Advanced Science, EarlyView.Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
"Computing Densities: A Conditional Monte Carlo Estimator" [PDF]
We propose a generalized conditional Monte Carlo technique for computing densities in economic models. Global consistency and functional asymptotic normality are established under ergodicity assumptions on the simulated process.
Huiyu Li +2 more
core +2 more sources
Pricing the Risk-Transfer Financial Instruments via Monte Carlo Methods
, 2002 The paper is devoted to finding the present value of catastrophe bonds using a combination of Monte Carlo and Iterative Stochastic Equation methods. Apart from general methodology, three practical examples of catastrophe bonds connected with earthquakes ...
Maciej Romaniuk +3 more
core
A Review of Failure Modes and Safety Strategies of Lithium‐Ion Batteries from Materials to Systems
Advanced Science, EarlyView.A cascade‐aware framework is presented for lithium‐ion battery safety, linking thermal runaway initiation, acceleration, runaway reaction, and propagation with material‐, cell/pack‐, and system‐level interventions. By integrating failure mechanisms, quantitative safety indicators, and staged interception strategies, this review highlights how safer ...
Jin Hyeok Yang +8 more
wiley +1 more source
Proxy simulation schemes using likelihood ratio weighted Monte Carlo for generic robust Monte-Carlo sensitivities and high accuracy drift approximation (with applications to the LIBOR Market Model) [PDF]
We consider a generic framework for generating likelihood ratio weighted Monte Carlo simulation paths, where we use one simulation scheme K° (proxy scheme) to generate realizations and then reinterpret them as realizations of another scheme K* (target ...
Joerg Kampen, Christian P. Fries
core
Advanced Electronic Materials, EarlyView.Ising machines are emerging as specialized hardware solvers for computationally hard optimization problems. This review examines five major platforms—digital CMOS, analog CMOS, emerging devices, coherent optics, and quantum systems—highlighting physics‐rooted advantages and shared bottlenecks in scalability and connectivity.
Hyunjun Lee, Joon Pyo Kim, Sanghyeon Kim
wiley +1 more source
Development and Validation of Monte Carlo Methods for Converay: A Proof-of-Concept Study. [PDF]
Cancers (Basel)Figueroa R +8 more
europepmc +1 more source