Lv5
1360 积分 2021-05-15 加入
Modulating the photophysical properties of sp-carbon ring aggregates: A theoretical study on C₁₈ dimers under X/Z-directional electric fields
1天前
已完结
FeNNol: An efficient and flexible library for building force-field-enhanced neural network potentials
30天前
已完结
Improved initial guess for minimum energy path calculations
1个月前
已完结
Advances in modeling complex materials: The rise of neuroevolution potentials
1个月前
已完结
SchNetPack 2.0: A neural network toolbox for atomistic machine learning
1个月前
已完结
PyMEDA: A unified python framework for multiscale energy decomposition Analysis
2个月前
已关闭
Theoretical Insights into Multi-Field-Modulated Donor-Acceptor Cyclo[n]carbon Rectifiers
3个月前
已关闭
Dispersion-controlled adsorption of Noble gases on Cyclo[18]carbon: Insights into structure, electronic spectra, and optical response
3个月前
已关闭
Robustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics
3个月前
已完结
Size effects in large cyclo[26]carbon: a theoretical study
4个月前
已完结
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