Výsledky vyhledávání - "Ford, Denise C."

Akademický článek

The effect of framework flexibility on diffusion of small molecules in the metal-organic framework IRMOF-1

Autor: Ford, Denise C., Dubbeldam, David, Snurr, Randall Q.

Publikováno v: Diffusion fundamentals. 11(78):1-8

Many efforts have been made to model adsorption and diffusion processes in metalorganic frameworks (MOFs) in the past several years. In most of these studies, the framework has been kept rigid. In this study, we examine the effect of using a flexible

Externí odkaz: https://ul.qucosa.de/id/qucosa%3A14043
https://ul.qucosa.de/api/qucosa%3A14043/attachment/ATT-0/

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AFLOW-XtalFinder: a reliable choice to identify crystalline prototypes

Autor: Hicks, David, Toher, Cormac, Ford, Denise C., Rose, Frisco, De Santo, Carlo, Levy, Ohad, Mehl, Michael J., Curtarolo, Stefano

The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype structures. The open-source AFLOW-XtalFinder package was developed to solve this problem. It symbolically maps s

Externí odkaz: http://arxiv.org/abs/2010.04222

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Metallic glasses for biodegradable implants

Autor: Ford, Denise C., Hicks, David, Oses, Corey, Toher, Cormac, Curtarolo, Stefano

Metallic glasses are excellent candidates for biomedical implant applications due to their inherent strength and corrosion resistance. Use of metallic glasses in structural applications is limited, however, because bulk dimensions are challenging to

Externí odkaz: http://arxiv.org/abs/1902.00485

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The AFLOW Fleet for Materials Discovery

Autor: Toher, Cormac, Oses, Corey, Hicks, David, Gossett, Eric, Rose, Frisco, Nath, Pinku, Usanmaz, Demet, Ford, Denise C., Perim, Eric, Calderon, Camilo E., Plata, Jose J., Lederer, Yoav, Jahnátek, Michal, Setyawan, Wahyu, Wang, Shidong, Xue, Junkai, Rasch, Kevin, Chepulskii, Roman V., Taylor, Richard H., Gomez, Geena, Shi, Harvey, Supka, Andrew R., Orabi, Rabih Al Rahal Al, Gopal, Priya, Cerasoli, Frank T., Liyanage, Laalitha, Wang, Haihang, Siloi, Ilaria, Agapito, Luis A., Nyshadham, Chandramouli, Hart, Gus L. W, Carrete, Jesús, Legrain, Fleur, Mingo, Natalio, Zurek, Eva, Isayev, Olexandr, Tropsha, Alexander, Sanvito, Stefano, Hanson, Robert M., Takeuchi, Ichiro, Mehl, Michael J., Kolmogorov, Aleksey N., Yang, Kesong, D'Amico, Pino, Calzolari, Arrigo, Costa, Marcio, De Gennaro, Riccardo, Nardelli, Marco Buongiorno, Fornari, Marco, Levy, Ohad, Curtarolo, Stefano

The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational mater

Externí odkaz: http://arxiv.org/abs/1712.00422

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