Schultz AJ - Search Results

1

A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules.

Afzal MAF, Sonpal A, Haghighatlari M, Schultz AJ, Hachmann J. Afzal MAF, et al. Among authors: schultz aj. Chem Sci. 2019 Jul 9;10(36):8374-8383. doi: 10.1039/c9sc02677k. eCollection 2019 Sep 28. Chem Sci. 2019. PMID: 31762970 Free PMC article.

2

Suitability of umbrella- and overlap-sampling methods for calculation of solid-phase free energies by molecular simulation.

Tan TB, Schultz AJ, Kofke DA. Tan TB, et al. Among authors: schultz aj. J Chem Phys. 2010 Jun 7;132(21):214103. doi: 10.1063/1.3432255. J Chem Phys. 2010. PMID: 20528014

3

Virial coefficients of model alkanes.

Schultz AJ, Kofke DA. Schultz AJ, et al. J Chem Phys. 2010 Sep 14;133(10):104101. doi: 10.1063/1.3486085. J Chem Phys. 2010. PMID: 20849158

4

Calculation of inhomogeneous-fluid cluster expansions with application to the hard-sphere∕hard-wall system.

Yang JH, Schultz AJ, Errington JR, Kofke DA. Yang JH, et al. Among authors: schultz aj. J Chem Phys. 2013 Apr 7;138(13):134706. doi: 10.1063/1.4798456. J Chem Phys. 2013. PMID: 23574251

5

A comparative study of methods to compute the free energy of an ordered assembly by molecular simulation.

Moustafa SG, Schultz AJ, Kofke DA. Moustafa SG, et al. Among authors: schultz aj. J Chem Phys. 2013 Aug 28;139(8):084105. doi: 10.1063/1.4818990. J Chem Phys. 2013. PMID: 24006972

6

Eighth to sixteenth virial coefficients of the Lennard-Jones model.

Feng C, Schultz AJ, Chaudhary V, Kofke DA. Feng C, et al. Among authors: schultz aj. J Chem Phys. 2015 Jul 28;143(4):044504. doi: 10.1063/1.4927339. J Chem Phys. 2015. PMID: 26233142

7

Combined temperature and density series for fluid-phase properties. I. Square-well spheres.

Elliott JR, Schultz AJ, Kofke DA. Elliott JR, et al. Among authors: schultz aj. J Chem Phys. 2015 Sep 21;143(11):114110. doi: 10.1063/1.4930268. J Chem Phys. 2015. PMID: 26395690

8

Quantifying Computational Effort Required for Stochastic Averages.

Schultz AJ, Kofke DA. Schultz AJ, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5229-34. doi: 10.1021/ct500792x. Epub 2014 Nov 11. J Chem Theory Comput. 2014. PMID: 26583206

9

Reformulation of Ensemble Averages via Coordinate Mapping.

Schultz AJ, Moustafa SG, Lin W, Weinstein SJ, Kofke DA. Schultz AJ, et al. J Chem Theory Comput. 2016 Apr 12;12(4):1491-8. doi: 10.1021/acs.jctc.6b00018. Epub 2016 Mar 7. J Chem Theory Comput. 2016. PMID: 26950263

10

Effects of thermostatting in molecular dynamics on anharmonic properties of crystals: Application to fcc Al at high pressure and temperature.

Moustafa SG, Schultz AJ, Kofke DA. Moustafa SG, et al. Among authors: schultz aj. J Chem Phys. 2018 Sep 28;149(12):124109. doi: 10.1063/1.5043614. J Chem Phys. 2018. PMID: 30278666

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

131 results

Search Page

Filters