Coe JD - Search Results

1

Optimal sampling efficiency in Monte Carlo simulation with an approximate potential.

Coe JD, Sewell TD, Shaw MS. Coe JD, et al. J Chem Phys. 2009 Apr 28;130(16):164104. doi: 10.1063/1.3116788. J Chem Phys. 2009. PMID: 19405558

2

Nested Markov chain Monte Carlo sampling of a density functional theory potential: equilibrium thermodynamics of dense fluid nitrogen.

Coe JD, Sewell TD, Shaw MS. Coe JD, et al. J Chem Phys. 2009 Aug 21;131(7):074105. doi: 10.1063/1.3200904. J Chem Phys. 2009. PMID: 19708730

3

An efficient approach to ab initio Monte Carlo simulation.

Leiding J, Coe JD. Leiding J, et al. Among authors: coe jd. J Chem Phys. 2014 Jan 21;140(3):034106. doi: 10.1063/1.4855755. J Chem Phys. 2014. PMID: 25669362

4

Reactive Monte Carlo sampling with an ab initio potential.

Leiding J, Coe JD. Leiding J, et al. Among authors: coe jd. J Chem Phys. 2016 May 7;144(17):174109. doi: 10.1063/1.4948303. J Chem Phys. 2016. PMID: 27155627

5

1,1-Diamino-2,2-dinitroethylene under high pressure-temperature.

Bishop MM, Chellappa RS, Pravica M, Coe J, Liu Z, Dattlebaum D, Vohra Y, Velisavljevic N. Bishop MM, et al. J Chem Phys. 2012 Nov 7;137(17):174304. doi: 10.1063/1.4759448. J Chem Phys. 2012. PMID: 23145728

6

Shockwave compression and dissociation of ammonia gas.

Dattelbaum DM, Lang JM, Goodwin PM, Gibson LL, Gammel WP, Coe JD, Ticknor C, Leiding JA. Dattelbaum DM, et al. Among authors: coe jd. J Chem Phys. 2019 Jan 14;150(2):024305. doi: 10.1063/1.5063012. J Chem Phys. 2019. PMID: 30646697

7

Extended Lagrangian formulation of charge-constrained tight-binding molecular dynamics.

Cawkwell MJ, Coe JD, Yadav SK, Liu XY, Niklasson AM. Cawkwell MJ, et al. Among authors: coe jd. J Chem Theory Comput. 2015 Jun 9;11(6):2697-704. doi: 10.1021/acs.jctc.5b00143. J Chem Theory Comput. 2015. PMID: 26575565

8

An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics.

Yang S, Coe JD, Kaduk B, Martínez TJ. Yang S, et al. Among authors: coe jd. J Chem Phys. 2009 Apr 7;130(13):134113. doi: 10.1063/1.3103930. J Chem Phys. 2009. PMID: 19355723

9

Intermolecular stabilization of 3,3'-diamino-4,4'-azoxyfurazan (DAAF) compressed to 20 GPa.

Chellappa RS, Dattelbaum DM, Coe JD, Velisavljevic N, Stevens LL, Liu Z. Chellappa RS, et al. Among authors: coe jd. J Phys Chem A. 2014 Aug 7;118(31):5969-82. doi: 10.1021/jp504935g. Epub 2014 Jul 23. J Phys Chem A. 2014. PMID: 25011055

10

Shock-Driven Decomposition of Polymers and Polymeric Foams.

Dattelbaum DM, Coe JD. Dattelbaum DM, et al. Among authors: coe jd. Polymers (Basel). 2019 Mar 13;11(3):493. doi: 10.3390/polym11030493. Polymers (Basel). 2019. PMID: 30960477 Free PMC article.

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