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Npj Computational Materials
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May 16, 2025
Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning
Mikołaj Martyka, Lina Zhang, Fuchun Ge, et al.
Topics in Current Chemistry (Cham)
|
June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine Learning
Pavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Journal of Chemical Theory and Computation
|
June 22, 2026
Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical Simulations
Jinming Hu, Hassan Nawaz, Yi-Fan Hou, et al.
Journal of Materials Chemistry. B
|
April 9, 2020
Biodegradable PLGA nanoparticles loaded with hydrophobic drugs: confocal Raman microspectroscopic characterization
Hu Yan, Yi-Fan Hou, Peng-Fei Niu, et al.
Journal of Economic Entomology
|
June 17, 2021
Pyrethroid Resistance and Fitness Cost Conferred by the super-kdr Mutation M918L in Rhopalosiphum padi (Hemiptera: Aphididae)
Kang Wang, Jun Ning Zhao, Jiao Yang Bai, et al.
Journal of Chemical Theory and Computation
|
June 5, 2024
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods
Lina Zhang, Sebastian V Pios, Mikołaj Martyka, et al.
Phytomedicine : International Journal of Phytotherapy and Phytopharmacology
|
February 6, 2025
Xin-Ji-Er-Kang balances mitochondrial fusion and fission to protect cardiomyocytes in mice with heart failure by regulating the ERα/SIRT3 pathway
Wei-Wei Cai, Yuan-Yuan Qin, Fei Ge, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
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Search research articles
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Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Npj Computational Materials
|
May 16, 2025
Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learning
Mikołaj Martyka, Lina Zhang, Fuchun Ge, et al.
Topics in Current Chemistry (Cham)
|
June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine Learning
Pavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Journal of Chemical Theory and Computation
|
June 22, 2026
Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical Simulations
Jinming Hu, Hassan Nawaz, Yi-Fan Hou, et al.
Journal of Materials Chemistry. B
|
April 9, 2020
Biodegradable PLGA nanoparticles loaded with hydrophobic drugs: confocal Raman microspectroscopic characterization
Hu Yan, Yi-Fan Hou, Peng-Fei Niu, et al.
Journal of Economic Entomology
|
June 17, 2021
Pyrethroid Resistance and Fitness Cost Conferred by the super-kdr Mutation M918L in Rhopalosiphum padi (Hemiptera: Aphididae)
Kang Wang, Jun Ning Zhao, Jiao Yang Bai, et al.
Journal of Chemical Theory and Computation
|
June 5, 2024
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods
Lina Zhang, Sebastian V Pios, Mikołaj Martyka, et al.
Phytomedicine : International Journal of Phytotherapy and Phytopharmacology
|
February 6, 2025
Xin-Ji-Er-Kang balances mitochondrial fusion and fission to protect cardiomyocytes in mice with heart failure by regulating the ERα/SIRT3 pathway
Wei-Wei Cai, Yuan-Yuan Qin, Fei Ge, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
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of 2