Zobrazeno 1 - 10
of 522
pro vyhledávání: '"Maginn, Edward J."'
Autor:
Maerzke, Katie A., Goff, George S., Runde, Wolfgang H., Schneider, William F., Maginn, Edward J.
Publikováno v:
Journal of Chemical Physics; 10/21/2024, Vol. 161 Issue 15, p1-12, 12p
Publikováno v:
Journal of Chemical Physics; 8/21/2024, Vol. 161 Issue 7, p1-12, 12p
Publikováno v:
In Fluid Phase Equilibria January 2025 587
Publikováno v:
Journal of Chemical Physics; 7/7/2024, Vol. 161 Issue 1, p1-12, 12p
Autor:
Wang, Xiaoyu, Wang, Yujia, Moini, Ahmad, Gounder, Rajamani, Maginn, Edward J., Schneider, William F.
While organic structure directing agents (OSDAs) are well known to have a directional influence on the topology of a crystallizing zeolite, the relationship between OSDA charge and siting of aliovalent ions on a primarily siliceous framework is uncle
Externí odkaz:
http://arxiv.org/abs/2110.12523
Publikováno v:
J. Chem. Phys. 153, 044504 (2020)
The low melting point of room temperature ionic liquids is usually explained in terms of the presence of bulky, low symmetry and flexible ions, with the first two factors related to the lattice energy while an entropic effect is attributed to the lat
Externí odkaz:
http://arxiv.org/abs/2107.13795
Autor:
Penley, Drace, Gerber, Hazel, Garaga, Mounesha N., Wickramasinghe, Nalinda P., Greenbaum, Steven G., Maginn, Edward J., Zhang, Yong, Gurkan, Burcu
Publikováno v:
In Journal of Power Sources 15 February 2024 593
Autor:
Verevkin, Sergey P., Zaitsau, Dzmitry H., Nagrimanov, Ruslan N., Zhang, Yong, Maginn, Edward J., Stark, Annegret
Publikováno v:
In Journal of Molecular Liquids 1 February 2024 395
Autor:
Befort, Bridgette J., DeFever, Ryan S., Tow, Garrett M., Dowling, Alexander W., Maginn, Edward J.
Accurate force fields are necessary for predictive molecular simulations. However, developing force fields that accurately reproduce experimental properties is challenging. Here, we present a machine learning directed, multiobjective optimization wor
Externí odkaz:
http://arxiv.org/abs/2103.03208