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70 积分 2024-06-12 加入
The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals
9天前
已完结
Ab initio real-time quantum dynamics of charge carriers in momentum space
12天前
已完结
Accelerating the calculation of electron–phonon coupling strength with machine learning
1个月前
已完结
Multiphonon hole trapping from first principles
1个月前
已完结
Comparative Study of Defect Properties in GaN: Ab Initio and Empirical Potential Calculations
1个月前
已完结
First-principles calculations for defects and impurities: Applications to III-nitrides
1个月前
已完结
Strain-driven tunable electronic and optical properties of bilayer MoSi2N4: A many-body calculation
3个月前
已完结
Mixed quantum-classical equilibrium: Surface hopping
3个月前
已完结
Recent progress in two-dimensional materials: From emerging structures and synthesis approaches to electronic and sensing applications
3个月前
已完结
Decoherence-induced surface hopping
3个月前
已完结
Mesoporous FeP/RGO nanocomposites as anodes for sodium ion batteries with enhanced specific capacity and long cycling life
6个月前
已采纳
Mesoporous FeP/RGO nanocomposites as anodes for sodium ion batteries with enhanced specific capacity and long cycling life
6个月前
已采纳
Dopant-free synergy of Fe gradient and Na vacancies for boosted Na + transport in O3-type cathodes
6个月前
已采纳
GPCB Routing: Generative Pretrained Transformers-Based Printed Circuit Board Routing Method
6个月前
已采纳
There is nothing artificial about intelligence: consciousness, symbiosis and the collapse of the human–machine divide
6个月前
已采纳
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