Mahynski NA - Search Results

1

Predicting structural properties of fluids by thermodynamic extrapolation.

Mahynski NA, Jiao S, Hatch HW, Blanco MA, Shen VK. Mahynski NA, et al. J Chem Phys. 2018 May 21;148(19):194105. doi: 10.1063/1.5026493. J Chem Phys. 2018. PMID: 30307179 Free PMC article.

2

Tuning flexibility to control selectivity in soft porous crystals.

Mahynski NA, Shen VK. Mahynski NA, et al. J Chem Phys. 2017 Jan 28;146(4):044706. doi: 10.1063/1.4974811. J Chem Phys. 2017. PMID: 28147539

3

Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods.

Mahynski NA, Blanco MA, Errington JR, Shen VK. Mahynski NA, et al. J Chem Phys. 2017 Feb 21;146(7):074101. doi: 10.1063/1.4975331. J Chem Phys. 2017. PMID: 28228029

4

Temperature extrapolation of multicomponent grand canonical free energy landscapes.

Mahynski NA, Errington JR, Shen VK. Mahynski NA, et al. J Chem Phys. 2017 Aug 7;147(5):054105. doi: 10.1063/1.4996759. J Chem Phys. 2017. PMID: 28789543 Free PMC article.

5

Controlling relative polymorph stability in soft porous crystals with a barostat.

Mahynski NA, Shen VK. Mahynski NA, et al. J Chem Phys. 2017 Jun 14;146(22):224706. doi: 10.1063/1.4983616. J Chem Phys. 2017. PMID: 29166045 Free PMC article.

6

Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations.

Hatch HW, Jiao S, Mahynski NA, Blanco MA, Shen VK. Hatch HW, et al. Among authors: mahynski na. J Chem Phys. 2017 Dec 21;147(23):231102. doi: 10.1063/1.5016165. J Chem Phys. 2017. PMID: 29272929 Free PMC article.

7

Multivariable extrapolation of grand canonical free energy landscapes.

Mahynski NA, Errington JR, Shen VK. Mahynski NA, et al. J Chem Phys. 2017 Dec 21;147(23):234111. doi: 10.1063/1.5006906. J Chem Phys. 2017. PMID: 29272947 Free PMC article.

8

Molecular simulation of capillary phase transitions in flexible porous materials.

Shen VK, Siderius DW, Mahynski NA. Shen VK, et al. Among authors: mahynski na. J Chem Phys. 2018 Mar 28;148(12):124115. doi: 10.1063/1.5022171. J Chem Phys. 2018. PMID: 29604881

9

On the virial coefficients of confined fluids: Analytic expressions for the thermodynamic properties of hard particles with attractions in slit and cylindrical pores to second order.

Krekelberg WP, Mahynski NA, Shen VK. Krekelberg WP, et al. Among authors: mahynski na. J Chem Phys. 2019 Jan 28;150(4):044704. doi: 10.1063/1.5063898. J Chem Phys. 2019. PMID: 30709302

10

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density.

Monroe JI, Hatch HW, Mahynski NA, Shell MS, Shen VK. Monroe JI, et al. Among authors: mahynski na. J Chem Phys. 2020 Oct 14;153(14):144101. doi: 10.1063/5.0014282. J Chem Phys. 2020. PMID: 33086808 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

40 results

Search Page

Filters