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Proceedings of the National Academy of Sciences of the United States of America
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August 4, 2022
From data to noise to data for mixing physics across temperatures with generative artificial intelligence
Yihang Wang, Lukas Herron, Pratyush Tiwary
The Journal of Chemical Physics
|
March 21, 2025
A comparison of probabilistic generative frameworks for molecular simulations
Richard John, Lukas Herron, Pratyush Tiwary
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
|
December 16, 2024
Inferring phase transitions and critical exponents from limited observations with thermodynamic maps
Lukas Herron, Kinjal Mondal, John S Schneekloth, et al.
Annual Review of Physical Chemistry
|
February 21, 2024
Enhanced Sampling with Machine Learning
Shams Mehdi, Zachary Smith, Lukas Herron, et al.
Msystems
|
December 9, 2024
Designing host-associated microbiomes using the consumer/resource model
Germán Plata, Karthik Srinivasan, Madan Krishnamurthy, et al.
Biorxiv : the Preprint Server for Biology
|
May 10, 2023
Designing host-associated microbiomes using the consumer/resource model
Germán Plata, Karthik Srinivasan, Madan Krishnamurthy, et al.
Journal of Chemical Information and Modeling
|
April 23, 2026
DiffDock-Glide: A Hybrid Physics-Based and Data-Driven Approach to Molecular Docking
Lukas Herron, Jumana Dakka, Steven V Jerome, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Generative AI for computational chemistry: A roadmap to predicting emergent phenomena
Pratyush Tiwary, Lukas Herron, Richard John, 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.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Proceedings of the National Academy of Sciences of the United States of America
|
August 4, 2022
From data to noise to data for mixing physics across temperatures with generative artificial intelligence
Yihang Wang, Lukas Herron, Pratyush Tiwary
The Journal of Chemical Physics
|
March 21, 2025
A comparison of probabilistic generative frameworks for molecular simulations
Richard John, Lukas Herron, Pratyush Tiwary
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
|
December 16, 2024
Inferring phase transitions and critical exponents from limited observations with thermodynamic maps
Lukas Herron, Kinjal Mondal, John S Schneekloth, et al.
Annual Review of Physical Chemistry
|
February 21, 2024
Enhanced Sampling with Machine Learning
Shams Mehdi, Zachary Smith, Lukas Herron, et al.
Msystems
|
December 9, 2024
Designing host-associated microbiomes using the consumer/resource model
Germán Plata, Karthik Srinivasan, Madan Krishnamurthy, et al.
Biorxiv : the Preprint Server for Biology
|
May 10, 2023
Designing host-associated microbiomes using the consumer/resource model
Germán Plata, Karthik Srinivasan, Madan Krishnamurthy, et al.
Journal of Chemical Information and Modeling
|
April 23, 2026
DiffDock-Glide: A Hybrid Physics-Based and Data-Driven Approach to Molecular Docking
Lukas Herron, Jumana Dakka, Steven V Jerome, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Generative AI for computational chemistry: A roadmap to predicting emergent phenomena
Pratyush Tiwary, Lukas Herron, Richard John, 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.
Page
of 2