Lv5
880 积分 2024-12-26 加入
AI-powered model for accurate prediction of MCI-to-AD progression
20小时前
待确认
Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential
2个月前
已完结
Robust generative transition-state models for unseen chemistry
2个月前
已完结
A robust and memory-efficient transition state search method for complex energy landscapes
4个月前
已完结
Improved Elastic Image Pair Method for Finding Transition States
4个月前
已完结
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
4个月前
已完结
Single‐ended transition state finding with the growing string method
4个月前
已完结
Growing string method with interpolation and optimization in internal coordinates: Method and examples
4个月前
已完结
A growing string method for determining transition states: Comparison to the nudged elastic band and string methods
4个月前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
4个月前
已完结
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