Likai Du
Identifiers
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Papers (5)
- Electronic Structure Topology Associated Domain is Useful to Minimize the Uncertainty of QM/MM Boundary Charge Transfer Effects physics.chem-ph · 2018 · author #4
- Charge Transfer in Classical Molecular Dynamics Simulations of Met-enkephalin: Improving Traditional Force Field with Data Driven Models physics.chem-ph · 2018 · author #3
- Charge Transfer Database for Bio-molecule Tight Binding Model Derived from Thousands of Proteins physics.chem-ph · 2018 · author #4
- Data Driven Charge Transfer Atlas Provides Topological View of Electronic Structure Properties for Arbitrary Proteins Complexes physics.chem-ph · 2018 · author #4
- Direct Mapping Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implications on Force Field Development physics.chem-ph · 2017 · author #2
Mentions
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Frequent Coauthors
- Dongju Zhang 5 shared papers
- Fang Liu 5 shared papers
- Jun Gao 3 shared papers
- Hongwei Wang 2 shared papers
- Tiange Dong 2 shared papers
- Jiajun Yang 1 shared papers