Zobrazeno 1 - 10
of 73
pro vyhledávání: '"Konstantinos D. Vogiatzis"'
Publikováno v:
Polymers, Vol 16, Iss 16, p 2243 (2024)
Vinyl-addition polynorbornenes are candidates for designing high-performance polymers due to unique characteristics, which include a high glass transition temperature associated with a rigid backbone. Recent studies have established that the processa
Externí odkaz:
https://doaj.org/article/e319a6b08f864be6a4693f3e57761d92
Autor:
Owen Queen, Gavin A. McCarver, Saitheeraj Thatigotla, Brendan P. Abolins, Cameron L. Brown, Vasileios Maroulas, Konstantinos D. Vogiatzis
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-10 (2023)
Abstract The prediction of a variety of polymer properties from their monomer composition has been a challenge for material informatics, and their development can lead to a more effective exploration of the material space. In this work, PolymerGNN, a
Externí odkaz:
https://doaj.org/article/d4c4ac0f07744ef69ffd50e334a6d4a0
Autor:
Jacob Townsend, Cassie Putman Micucci, John H. Hymel, Vasileios Maroulas, Konstantinos D. Vogiatzis
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-9 (2020)
The choice of molecular representations can severely impact the performances of machine-learning methods. Here the authors demonstrate a persistence homology based molecular representation through an active-learning approach for predicting CO2/N2 int
Externí odkaz:
https://doaj.org/article/5a638e6c37334f2eb4cc47e69d8c65d8
Autor:
Jacob Townsend, Cassie Putman Micucci, John H. Hymel, Vasileios Maroulas, Konstantinos D. Vogiatzis
Publikováno v:
Nature Communications, Vol 11, Iss 1, Pp 1-1 (2020)
An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Externí odkaz:
https://doaj.org/article/684efa0f17fe418a8a4797d229fa3079
Publikováno v:
ChemPhysChem.
Autor:
Donna A. Chen, Juan D. Jimenez, Sanjaya D. Senanayake, Julian P. Stetzler, Deependra M. Shakya, Gavin A. McCarver, Thayalan Rajeshkumar, Konstantinos D. Vogiatzis, Abhijai Mathur, Natalia B. Shustova, Michael L. Myrick, Kamolrat Metavarayuth, Michael M. Royko, Jochen Lauterbach, Gregory L. Tate, John R. Monnier
Publikováno v:
The Journal of Physical Chemistry C. 126:11553-11565
Publikováno v:
ACS In Focus ISBN: 9780841299788
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5483894b13cf7000171fc629d5a5927
https://doi.org/10.1021/acsinfocus.7e7006
https://doi.org/10.1021/acsinfocus.7e7006
Autor:
Xinyi Wang, Trevor J. Wilson, Christopher R. Maroon, Jeffrey A. Laub, Savannah E. Rheingold, Konstantinos D. Vogiatzis, Brian K. Long
Publikováno v:
ACS Applied Polymer Materials. 4:7976-7988
Autor:
Mohammad Atif Faiz Afzal, Mario Barbatti, Stefano Battaglia, Liqun Cao, Tucker Carrington, Rose K. Cersonsky, Bili Chen, Guanhua Chen, Bruno Cuevas-Zuviría, Leyuan Cui, Hongsheng Dai, Sandip De, Pavlo O. Dral, Ignacio Fdez. Galván, Owen Fresse-Colson, Gang Fu, Fuchun Ge, Johannes Hachmann, Mojtaba Haghighatlari, Yi-Fan Hou, Eugen Hruska, Manabu Ihara, Bin Jiang, Hong Jiang, Jun Jiang, Grier M. Jones, Alexei A. Kananenka, Julien Lam, Zhenggang Lan, Gaétan Laurens, Wei Liang, Roland Lindh, Fang Liu, Hong Liu, Zhi-Pan Liu, Sergei Manzhos, Philipp Marquetand, Jiawei Peng, Max Pinheiro Jr, Aatish Pradhan, Jan Řezáč, P.D.Varuna S. Pathirage, Cheng Shang, Aditya Sonpal, Peifeng Su, Huai-Yang Sun, Gauthier Tallec, Arif Ullah, Gaurav Vishwakarma, Konstantinos D. Vogiatzis, Jingchun Wang, Shuai Wang, Julia Westermayr, Jiang Wu, Xun Wu, Bao-Xin Xue, Jinzhe Zeng, Lina Zhang, Yaolong Zhang, Yi Zhao, Xiao Zheng, Xinxin Zhong, Tong Zhu, Yifei Zhu, Tetiana Zubatiuk
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ed5888a7f4b03ffdc888de345270d64
https://doi.org/10.1016/b978-0-323-90049-2.09990-x
https://doi.org/10.1016/b978-0-323-90049-2.09990-x