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Publications by Qichao Wei
Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface Through Metadynamics, Umbrella Sampling, and Jarzynski's Equality
ChemPhysChem
Theoretical Chemistry
Physical
Optics
Atomic
Molecular Physics,
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Self-Healing Umbrella Sampling: A Non-Equilibrium Approach for Quantitative Free Energy Calculations
Exploring the Sulfatase 1 Catch Bond Free Energy Landscape Using Jarzynski's Equality
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Direct Calculation of Solid-Liquid Interfacial Free Energy for Molecular Systems: TIP4P Ice-Water Interface
Physical Review Letters
Astronomy
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The Conformational Energy Landscape of Aqueous Polyglutamine Peptides From Metadynamics Calculations
Biophysical Journal
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Calculation of Protein-Protein Binding Free Energies Using Umbrella Sampling With Dual Resolution Water Models
Biophysical Journal
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OH Formation and H2 Adsorption at the Liquid Water-Pt(111) Interface
Chemical Science
Chemistry
Reversible Adsorption of Proteins at the Oil/Water Interface. I. Preferential Adsorption of Proteins at Charged Oil/Water Interfaces
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
Mathematics
Engineering
Astronomy
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Improved Sampling in Ab Initio-Based Free Energy Calculations of Amino Acids at Solid-Liquid Interfaces: A Tight-Binding Assessment on TiO2 Anatase (101)
Wetting at the Solid-Solution Interface as a Function of Solute Adsorption
