Poulsen JA - Search Results

1

Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.

Smith KK, Poulsen JA, Nyman G, Cunsolo A, Rossky PJ. Smith KK, et al. Among authors: poulsen ja. J Chem Phys. 2015 Jun 28;142(24):244113. doi: 10.1063/1.4922888. J Chem Phys. 2015. PMID: 26133416

2

Static and dynamic quantum effects in molecular liquids: a linearized path integral description of water.

Poulsen JA, Nyman G, Rossky PJ. Poulsen JA, et al. Proc Natl Acad Sci U S A. 2005 May 10;102(19):6709-14. doi: 10.1073/pnas.0408647102. Epub 2005 Apr 28. Proc Natl Acad Sci U S A. 2005. PMID: 15860585 Free PMC article.

3

Direct dynamics study of ultrafast vibrational energy relaxation in ice Ih.

Bäcktorp C, Poulsen JA, Nyman G. Bäcktorp C, et al. Among authors: poulsen ja. J Phys Chem A. 2005 Apr 14;109(14):3105-10. doi: 10.1021/jp044606b. J Phys Chem A. 2005. PMID: 16833636

4

Comparison of approximate quantum simulation methods applied to normal liquid helium at 4 K.

Hone TD, Poulsen JA, Rossky PJ, Manolopoulos DE. Hone TD, et al. Among authors: poulsen ja. J Phys Chem B. 2008 Jan 17;112(2):294-300. doi: 10.1021/jp075022n. Epub 2007 Nov 21. J Phys Chem B. 2008. PMID: 18027920

5

Classical Wigner method with an effective quantum force: application to reaction rates.

Poulsen JA, Li H, Nyman G. Poulsen JA, et al. J Chem Phys. 2009 Jul 14;131(2):024117. doi: 10.1063/1.3167299. J Chem Phys. 2009. PMID: 19603980

6

A variational principle in Wigner phase-space with applications to statistical mechanics.

Poulsen JA. Poulsen JA. J Chem Phys. 2011 Jan 21;134(3):034118. doi: 10.1063/1.3519637. J Chem Phys. 2011. PMID: 21261341

7

The classical Wigner method with an effective quantum force: application to the collinear H + H2 reaction.

Li H, Poulsen JA, Nyman G. Li H, et al. Among authors: poulsen ja. J Phys Chem A. 2011 Jun 30;115(25):7338-45. doi: 10.1021/jp200886v. Epub 2011 May 26. J Phys Chem A. 2011. PMID: 21615109

8

Refinement of the experimental dynamic structure factor for liquid para-hydrogen and ortho-deuterium using semi-classical quantum simulation.

Smith KK, Poulsen JA, Cunsolo A, Rossky PJ. Smith KK, et al. Among authors: poulsen ja. J Chem Phys. 2014 Jan 21;140(3):034501. doi: 10.1063/1.4851997. J Chem Phys. 2014. PMID: 25669394

9

A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.

Smith KK, Poulsen JA, Nyman G, Rossky PJ. Smith KK, et al. Among authors: poulsen ja. J Chem Phys. 2015 Jun 28;142(24):244112. doi: 10.1063/1.4922887. J Chem Phys. 2015. PMID: 26133415

10

Feynman-Kleinert Linearized Path Integral (FK-LPI) Algorithms for Quantum Molecular Dynamics, with Application to Water and He(4).

Poulsen JA, Nyman G, Rossky PJ. Poulsen JA, et al. J Chem Theory Comput. 2006 Nov;2(6):1482-91. doi: 10.1021/ct600167s. J Chem Theory Comput. 2006. PMID: 26627018

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