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Chemical Science
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January 5, 2026
Latent thermodynamic flows: unified representation learning and generative modeling of temperature-dependent behaviors from limited data
Yunrui Qiu, Richard John, Lukas Herron, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 11, 2025
Unsupervised learning of structural relaxation in supercooled liquids from short-term fluctuations
Yunrui Qiu, Inhyuk Jang, Xuhui Huang, et al.
The Journal of Chemical Physics
|
March 22, 2024
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
Yue Wu, Siqin Cao, Yunrui Qiu, et al.
The Journal of Chemical Physics
|
October 3, 2023
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
Siqin Cao, Yunrui Qiu, Michael L Kalin, et al.
Arxiv
|
July 1, 2024
An Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes
Yunrui Qiu, Michael S O'Connor, Mingyi Xue, et al.
Journal of Chemical Theory and Computation
|
June 11, 2024
Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
The Journal of Physical Chemistry. B
|
October 25, 2022
The Ion-Dipole Correction of the 3DRISM Solvation Model to Accurately Compute Water Distributions around Negatively Charged Biomolecules
Siqin Cao, Yunrui Qiu, Ilona C Unarta, et al.
Biorxiv : the Preprint Server for Biology
|
May 25, 2026
Detecting and quantifying overparametrization in RNA language models with REDIAL
Da Teng, Yunrui Qiu, Gokulakannan Sakthivel, et al.
Biophysical Journal
|
November 29, 2025
Nucleosome condensate and linker DNA alter chromatin folding pathways and rates
Yunrui Qiu, Shuming Liu, Xingcheng Lin, et al.
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Search research articles
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Chemical Science
|
January 5, 2026
Latent thermodynamic flows: unified representation learning and generative modeling of temperature-dependent behaviors from limited data
Yunrui Qiu, Richard John, Lukas Herron, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 11, 2025
Unsupervised learning of structural relaxation in supercooled liquids from short-term fluctuations
Yunrui Qiu, Inhyuk Jang, Xuhui Huang, et al.
The Journal of Chemical Physics
|
March 22, 2024
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes
Yue Wu, Siqin Cao, Yunrui Qiu, et al.
The Journal of Chemical Physics
|
October 3, 2023
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels
Siqin Cao, Yunrui Qiu, Michael L Kalin, et al.
Arxiv
|
July 1, 2024
An Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
Journal of Chemical Theory and Computation
|
June 29, 2023
An Efficient Path Classification Algorithm Based on Variational Autoencoder to Identify Metastable Path Channels for Complex Conformational Changes
Yunrui Qiu, Michael S O'Connor, Mingyi Xue, et al.
Journal of Chemical Theory and Computation
|
June 11, 2024
Information Bottleneck Approach for Markov Model Construction
Dedi Wang, Yunrui Qiu, Eric R Beyerle, et al.
The Journal of Physical Chemistry. B
|
October 25, 2022
The Ion-Dipole Correction of the 3DRISM Solvation Model to Accurately Compute Water Distributions around Negatively Charged Biomolecules
Siqin Cao, Yunrui Qiu, Ilona C Unarta, et al.
Biorxiv : the Preprint Server for Biology
|
May 25, 2026
Detecting and quantifying overparametrization in RNA language models with REDIAL
Da Teng, Yunrui Qiu, Gokulakannan Sakthivel, et al.
Biophysical Journal
|
November 29, 2025
Nucleosome condensate and linker DNA alter chromatin folding pathways and rates
Yunrui Qiu, Shuming Liu, Xingcheng Lin, et al.
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of 2