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Physical Review Letters
|
December 9, 2017
Band Structure and Contact Resistance of Carbon Nanotubes Deformed by a Metal Contact
Roohollah Hafizi, Jerry Tersoff, Vasili Perebeinos
Journal of Chemical Theory and Computation
|
June 22, 2023
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches
Roohollah Hafizi, Jan Elsner, Jochen Blumberger
Nanomaterials (Basel, Switzerland)
|
June 10, 2023
Metal Contact Induced Unconventional Field Effect in Metallic Carbon Nanotubes
Georgy Fedorov, Roohollah Hafizi, Vyacheslav Semenenko, et al.
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
The Journal of Physical Chemistry. A
|
September 4, 2020
Multifidelity Statistical Machine Learning for Molecular Crystal Structure Prediction
Olga Egorova, Roohollah Hafizi, David C Woods, et al.
The Journal of Chemical Physics
|
December 24, 2017
A neural-network potential through charge equilibration for WS<sub>2</sub>: From clusters to sheets
Roohollah Hafizi, S Alireza Ghasemi, S Javad Hashemifar, et al.
The Journal of Chemical Physics
|
August 12, 2017
Stable isomers and electronic, vibrational, and optical properties of WS<sub>2</sub> nano-clusters: A first-principles study
Roohollah Hafizi, S Javad Hashemifar, Mojtaba Alaei, et al.
Journal of the American Chemical Society
|
October 16, 2025
Polar Triptycene-Based Nonmetal Organic Frameworks Show Enhanced Hydrogen Adsorption
Megan O'Shaughnessy, Hang Qu, Xue Wang, et al.
Nature
|
May 22, 2024
Porous isoreticular non-metal organic frameworks
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, et al.
Faraday Discussions
|
December 12, 2024
Discovering chemical structure: general discussion
Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Physical Review Letters
|
December 9, 2017
Band Structure and Contact Resistance of Carbon Nanotubes Deformed by a Metal Contact
Roohollah Hafizi, Jerry Tersoff, Vasili Perebeinos
Journal of Chemical Theory and Computation
|
June 22, 2023
Ultrafast Electronic Coupling Estimators: Neural Networks versus Physics-Based Approaches
Roohollah Hafizi, Jan Elsner, Jochen Blumberger
Nanomaterials (Basel, Switzerland)
|
June 10, 2023
Metal Contact Induced Unconventional Field Effect in Metallic Carbon Nanotubes
Georgy Fedorov, Roohollah Hafizi, Vyacheslav Semenenko, et al.
The Journal of Physical Chemistry. A
|
January 26, 2024
Machine-Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes
Patrick W V Butler, Roohollah Hafizi, Graeme M Day
The Journal of Physical Chemistry. A
|
September 4, 2020
Multifidelity Statistical Machine Learning for Molecular Crystal Structure Prediction
Olga Egorova, Roohollah Hafizi, David C Woods, et al.
The Journal of Chemical Physics
|
December 24, 2017
A neural-network potential through charge equilibration for WS<sub>2</sub>: From clusters to sheets
Roohollah Hafizi, S Alireza Ghasemi, S Javad Hashemifar, et al.
The Journal of Chemical Physics
|
August 12, 2017
Stable isomers and electronic, vibrational, and optical properties of WS<sub>2</sub> nano-clusters: A first-principles study
Roohollah Hafizi, S Javad Hashemifar, Mojtaba Alaei, et al.
Journal of the American Chemical Society
|
October 16, 2025
Polar Triptycene-Based Nonmetal Organic Frameworks Show Enhanced Hydrogen Adsorption
Megan O'Shaughnessy, Hang Qu, Xue Wang, et al.
Nature
|
May 22, 2024
Porous isoreticular non-metal organic frameworks
Megan O'Shaughnessy, Joseph Glover, Roohollah Hafizi, et al.
Faraday Discussions
|
December 12, 2024
Discovering chemical structure: general discussion
Alán Aspuru-Guzik, Tim Bechtel, Varinia Bernales, et al.
Page
of 2