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76 积分 2025-07-10 加入
Structural Dynamics and Energy Landscape of the Forward and Reverse Water–Gas Shift Catalytic Cycle on Ceria
1个月前
已完结
Ultra-Fine Pt Entities on High-Index CeO2(112) Facet Significantly Boosting Low Temperature Water–Gas Shift Reaction
1个月前
已关闭
Foundation models for atomistic simulation of chemistry and materials
2个月前
已完结
Machine learning potential-accelerated multiscale dynamical simulations of nanodiamond structural reconstruction
2个月前
已完结
Unveiling Reversible Evolution of Single-Atom Catalysts Driven by Reverse Oxygen Spillover of CeO2
3个月前
已完结
Structural origin of disorder-induced ion conduction in NaFePO4 cathode materials
4个月前
已完结
Are Foundational Atomistic Models Reliable for Finite-Temperature Molecular Dynamics
4个月前
已完结
Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials’ Surfaces
4个月前
已完结
Accelerating Computational Modeling of Reactant Adsorption through a Combined MACE+DFT Approach: Furfural on Cu Surfaces
4个月前
已完结
CO2 hydration at the air–water interface: A surface-mediated “in-and-out” mechanism
4个月前
已完结
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