Results 151 to 160 of about 637,276 (316)
Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons [PDF]
, 2021 Joonho Lee +2 more
openalex +1 more source
Heterogeneous Integration of Flipped Oxide Heterostructure Membranes for Nanoelectronics
Advanced Electronic Materials, EarlyView.A flipped electronically reconfigurable STO/LAO freestanding membrane is demonstrated and integrated with various host platforms via controlled transfer. Using ultra‐low‐voltage electron‐beam lithography, conductive nanostructures are created at the buried STO/LAO interface. This novel approach enables heterogeneous integration of flipped complex oxide
Ruiqi Sun +9 more
wiley +1 more source
Self-Learning Monte Carlo Method: Continuous-Time Algorithm
, 2017 The recently-introduced self-learning Monte Carlo method is a general-purpose numerical method that speeds up Monte Carlo simulations by training an effective model to propose uncorrelated configurations in the Markov chain.
Fu, Liang +4 more
core +1 more source
Mechanistic Considerations for Battery Charging Protocol Design
Advanced Energy Materials, EarlyView.This review bridges practical fast‐charging protocols with fundamental mechanisms of SOC‐dependent structural and compositional changes in electrode materials, kinetic limitations such as polarization and inhomogeneity, and heat generation characteristics shaped by protocol design.
Wenlong Li +13 more
wiley +1 more source
Results in PhysicsLaFeO3, a widely studied antiferromagnetic perovskite oxide with complex electronic and magnetic interactions, remains a challenging system for accurate theoretical modeling.
Zahra Mosleh, Mahdi TarighiAhmadpour
doaj +1 more source
Monte Carlo Hamiltonian: Inverse Potential
, 2003 The Monte Carlo Hamiltonian method developed recently allows to investigate ground state and low-lying excited states of a quantum system, using Monte Carlo algorithm with importance sampling. However, conventional MC algorithm has some difficulties when
Cheng, Xiao-Ni +2 more
core +1 more source
Understanding Quantum Tunneling through Quantum Monte Carlo Simulations
Physical Review Letters, 2016 5 pages, 4 figures, 10 pages of supplemental ...
Isakov, Sergei V. +6 more
openaire +4 more sources
Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries
Advanced Energy Materials, EarlyView.This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee +3 more
wiley +1 more source
AIChE Journal, EarlyView.Abstract Air separation via selective adsorption using porous adsorbents offers energy‐efficient alternatives to cryogenic distillation for producing high‐purity O2 and N2. Adsorbent efficacy depends on balancing selectivity, durability, and performance consistency across varying conditions. This comprehensive review critically discusses the design and
Tianqi Wang +9 more
wiley +1 more source
Coupled Electron Ion Monte Carlo Calculations of Dense Metallic Hydrogen
, 2004 We present a new Monte Carlo method which couples Path Integral for finite temperature protons with Quantum Monte Carlo for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation.
Carlo Pierleoni +8 more
core +2 more sources