Zobrazeno 1 - 10
of 354
pro vyhledávání: '"Henry Chan"'
A Continuous Action Space Tree search for INverse desiGn (CASTING) framework for materials discovery
Autor:
Suvo Banik, Troy Loefller, Sukriti Manna, Henry Chan, Srilok Srinivasan, Pierre Darancet, Alexander Hexemer, Subramanian K. R. S. Sankaranarayanan
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-16 (2023)
Abstract Material properties share an intrinsic relationship with their structural attributes, making inverse design approaches crucial for discovering new materials with desired functionalities. Reinforcement Learning (RL) approaches are emerging as
Externí odkaz:
https://doaj.org/article/0cd9e43705a342c7862b45c7158152b5
Autor:
Aditya Koneru, Henry Chan, Sukriti Manna, Troy D. Loeffler, Debdas Dhabal, Andressa A. Bertolazzo, Valeria Molinero, Subramanian K. R. S. Sankaranarayanan
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-13 (2023)
Abstract Silica is an abundant and technologically attractive material. Due to the structural complexities of silica polymorphs coupled with subtle differences in Si–O bonding characteristics, the development of accurate models to predict the struc
Externí odkaz:
https://doaj.org/article/3c88741166314ba68402d9365010783e
Autor:
Suvo Banik, Debdas Dhabal, Henry Chan, Sukriti Manna, Mathew Cherukara, Valeria Molinero, Subramanian K. R. S. Sankaranarayanan
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-12 (2023)
Abstract We introduce Crystal Edge Graph Attention Neural Network (CEGANN) workflow that uses graph attention-based architecture to learn unique feature representations and perform classification of materials across multiple scales (from atomic to me
Externí odkaz:
https://doaj.org/article/8cb1aa1f7f3847a0a01d6affaf962a87
Autor:
Margaret C. Lunn-Halbert, George S. Laszlo, Sarah Erraiss, Mark T. Orr, Heidi K. Jessup, Heather J. Thomas, Henry Chan, Mahan A. Jahromi, Jonathan Lloyd, Ann F. Cheung, Gregory P. Chang, Tanmay Dichwalkar, Daniel Fallon, Asya Grinberg, Eduardo Rodríguez-Arbolí, Sheryl Y. T. Lim, Allie R. Kehret, Jenny Huo, Frances M. Cole, Samuel C. Scharffenberger, Roland B. Walter
Publikováno v:
Cancers, Vol 16, Iss 5, p 877 (2024)
Increasing efforts are focusing on natural killer (NK) cell immunotherapies for AML. Here, we characterized CC-96191, a novel CD33/CD16a/NKG2D immune-modulating TriNKET®. CC-96191 simultaneously binds CD33, NKG2D, and CD16a, with NKG2D and CD16a co-
Externí odkaz:
https://doaj.org/article/4bbe9bf0817c4d4caa9e0e2c34d026bb
Autor:
Yudong Yao, Henry Chan, Subramanian Sankaranarayanan, Prasanna Balaprakash, Ross J. Harder, Mathew J. Cherukara
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)
Abstract The problem of phase retrieval underlies various imaging methods from astronomy to nanoscale imaging. Traditional phase retrieval methods are iterative and are therefore computationally expensive. Deep learning (DL) models have been develope
Externí odkaz:
https://doaj.org/article/295f8fbe44de4ce2862a576552930097
Autor:
Srilok Srinivasan, Rohit Batra, Duan Luo, Troy Loeffler, Sukriti Manna, Henry Chan, Liuxiang Yang, Wenge Yang, Jianguo Wen, Pierre Darancet, Subramanian K.R.S. Sankaranarayanan
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
Exploration of metastable phases of a given elemental composition is a data-intensive task. Here the authors integrate first-principles atomistic simulations with machine learning and high-performance computing to allow a rapid exploration of the met
Externí odkaz:
https://doaj.org/article/9c4236a29bdf462b8253c54b54a8e658
Accurate determination of solvation free energies of neutral organic compounds from first principles
Autor:
Leonid Pereyaslavets, Ganesh Kamath, Oleg Butin, Alexey Illarionov, Michael Olevanov, Igor Kurnikov, Serzhan Sakipov, Igor Leontyev, Ekaterina Voronina, Tyler Gannon, Grzegorz Nawrocki, Mikhail Darkhovskiy, Ilya Ivahnenko, Alexander Kostikov, Jessica Scaranto, Maria G. Kurnikova, Suvo Banik, Henry Chan, Michael G. Sternberg, Subramanian K. R. S. Sankaranarayanan, Brad Crawford, Jeffrey Potoff, Michael Levitt, Roger D. Kornberg, Boris Fain
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-7 (2022)
Theoretical estimations of solvation free energy by continuum solvation models are generally not accurate. Here the authors report a polarizable force field fitted entirely to first-principles calculations for the estimation of free energy of solvati
Externí odkaz:
https://doaj.org/article/196a3e9a85954eee90c95898bb4c8175
Autor:
Sukriti Manna, Troy D. Loeffler, Rohit Batra, Suvo Banik, Henry Chan, Bilvin Varughese, Kiran Sasikumar, Michael Sternberg, Tom Peterka, Mathew J. Cherukara, Stephen K. Gray, Bobby G. Sumpter, Subramanian K. R. S. Sankaranarayanan
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
Reinforcement learning algorithms are emerging as powerful machine learning approaches. This paper introduces a novel machine-learning approach for learning in continuous action space and applies this strategy to the generation of high dimensional po
Externí odkaz:
https://doaj.org/article/856fb35b358a4d51a94ca42f1d112763
Autor:
Marianne E. Sinka, Davide Zilli, Yunpeng Li, Ivan Kiskin, Dickson Msaky, Japhet Kihonda, Gustav Mkandawile, Emmanuel Kaindoa, Gerry Killeen, Josue Zanga, Emery Metelo, Daniel Kirkham, Paul Mansiangi, Eva Herreros-Moya, Waqas Rafique, Theeraphap Chareonviriyaphap, Rungarun Tisgratog, Lawrence Wang, Henry Chan, Benjamin Gutteridge, Henry Portwood, Stephen Roberts, Kathy J. Willis
Publikováno v:
Methods in Ecology and Evolution, Vol 12, Iss 10, Pp 1848-1859 (2021)
Abstract Mosquito surveys are time‐consuming, expensive and can provide a biased spatial sample of occurrence data—the data often representing the location of the surveys, not the occurrence of the mosquitoes. We present the HumBug project, an ac
Externí odkaz:
https://doaj.org/article/77bfb3c661f64603b66a6e0ad802aa1a
Autor:
Jian Li, Henry Chan
Publikováno v:
European Medical Journal Hematology, Pp 69-81 (2021)
Multiple myeloma is a condition that affects predominantly the older population. There are now various approved chemotherapy regimens as a result of advances in treatment. Choosing the optimal regimen for older patients with myeloma remains a challen
Externí odkaz:
https://doaj.org/article/2c359f2c98c24eeeb05fc4dfce55c04a