Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Jason M. Hicks"'
Autor:
Emanuel S. Grant, Jason M. Hicks
Publikováno v:
2020 IEEE International Conference on Progress in Informatics and Computing (PIC).
Graduate education presents unique challenges for both instructors and students. One challenge is that of the graduate course enrollment numbers; wherein small size classes can be as low as one student. In such course, the use of traditional classroo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::546c2ba9859a57a0fbc2b4f9cf71b14a
https://doi.org/10.1109/pic50277.2020.9350826
https://doi.org/10.1109/pic50277.2020.9350826
Autor:
Zhenhua Chen, Mark R. Hoffmann, Wanyi Jiang, Rashel M. Mokambe, Yuriy G. Khait, Jason M. Hicks, Daniel Theis, Dana Kerker
Publikováno v:
Molecular Physics. 111:1078-1091
The electronic structures of oxides of selenium, SeO, SeO2, and SeO3, and their dimers, Se2O3 and Se2O5, were studied using the second-order Generalised van Vleck variant of multireference perturbation theory (GVVPT2), with comparison to the linked c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a25e7e67b700b180bae355609a5bb893
https://doi.org/10.1080/00268976.2013.809163
https://doi.org/10.1080/00268976.2013.809163
Publikováno v:
The Journal of Physical Chemistry C. 116:22938-22946
Using Expanded Wang–Landau simulations, we have determined with great accuracy the grand-canonical partition function of CO2 adsorbed in IRMOF-1, IRMOF-8, and IRMOF-10. Then, following a solution thermodynamics approach to adsorption, we use the pa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::395e77fea308452c4c312a266d369986
https://doi.org/10.1021/jp307319u
https://doi.org/10.1021/jp307319u
Publikováno v:
Molecular Physics. 108:151-158
Using a combination of hybrid Monte Carlo simulations in the isothermal–isobaric ensemble with a Wang–Landau sampling, we parametrise a force field for polyaromatic hydrocarbons (PAHs). The proposed force field gives an accurate description of th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7801b7c9591f0e08df84ad0571a13c9a
https://doi.org/10.1080/00268970903544238
https://doi.org/10.1080/00268970903544238