Chenghan Li

University of Chicago

United States

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Articles (11)

Year:

2024

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2023

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2022

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2022

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2022

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2022

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2021

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2021

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2021

Year:

2021

Year:

2021

Collaborators (4)

Robert Michael Stroud

Professor

University of California, San Francisco

UNITED STATES

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Meghna Gupta

Assistant Professor

Oregon Health & Science University

UNITED STATES

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Xing Zhang

California Institute of Technology

UNITED STATES

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Harold H. Kung

Northwestern University

UNITED STATES

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Chenghan Li

Research Interests

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Articles (11)

Performant automatic differentiation of local coupled cluster theories: Response properties and ab initio molecular dynamics

Multi-site reaction dynamics through multi-fragment density matrix embedding

Using Hyperoptimized Tensor Networks and First-Principles Electronic Structure to Simulate the Experimental Properties of the Giant {Mn84} Torus

Key Factors Governing Initial Stages of Lipid Droplet Formation

Static and Dynamic Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature with Path Integral Simulations at Ambient Temperature

Using Machine Learning to Greatly Accelerate Path Integral Ab Initio Molecular Dynamics

A quantitative paradigm for water-assisted proton transport through proteins and other confined spaces

Key computational findings reveal proton transfer as driving the functional cycle in the phosphate transporter PiPT

Accurate and Transferable Reactive Molecular Dynamics Models from Constrained Density Functional Theory

Resolving the Structural Debate for the Hydrated Excess Proton in Water

Structural Characterization of Protonated Water Clusters Confined in HZSM-5 Zeolites

Collaborators (4)

Robert Michael Stroud

Meghna Gupta

Xing Zhang

Harold H. Kung

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