These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
2. Ring polymer dynamics for rigid tops with an improved integrator. Wolf S; Curotto E J Chem Phys; 2014 Jul; 141(2):024116. PubMed ID: 25028008 [TBL] [Abstract][Full Text] [Related]
3. Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials. Lu J; Vanden-Eijnden E J Chem Phys; 2013 Feb; 138(8):084105. PubMed ID: 23464138 [TBL] [Abstract][Full Text] [Related]
4. Partial averaging and the centroid virial estimator for stereographic projection path-integral simulations in curved spaces. Avilés MW; Curotto E J Chem Phys; 2005 Apr; 122(16):164109. PubMed ID: 15945674 [TBL] [Abstract][Full Text] [Related]
6. Ring polymer dynamics in curved spaces. Wolf S; Curotto E J Chem Phys; 2012 Jul; 137(1):014109. PubMed ID: 22779639 [TBL] [Abstract][Full Text] [Related]
7. Rare-event sampling: occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods. Doll JD; Plattner N; Freeman DL; Liu Y; Dupuis P J Chem Phys; 2012 Nov; 137(20):204112. PubMed ID: 23205986 [TBL] [Abstract][Full Text] [Related]
8. On performance measures for infinite swapping Monte Carlo methods. Doll JD; Dupuis P J Chem Phys; 2015 Jan; 142(2):024111. PubMed ID: 25591342 [TBL] [Abstract][Full Text] [Related]
9. A rare event sampling method for diffusion Monte Carlo using smart darting. Roberts K; Sebsebie R; Curotto E J Chem Phys; 2012 Feb; 136(7):074104. PubMed ID: 22360233 [TBL] [Abstract][Full Text] [Related]
10. Molecular simulation of dendrimers and their mixtures under shear: comparison of isothermal-isobaric (NpT) and isothermal-isochoric (NVT) ensemble systems. Bosko JT; Todd BD; Sadus RJ J Chem Phys; 2005 Jul; 123(3):34905. PubMed ID: 16080761 [TBL] [Abstract][Full Text] [Related]
11. Dynamics of H+ + CO at E(Lab) = 30 eV. Stopera C; Maiti B; Grimes TV; McLaurin PM; Morales JA J Chem Phys; 2012 Feb; 136(5):054304. PubMed ID: 22320739 [TBL] [Abstract][Full Text] [Related]
12. Isotope effects of reactions in quantum solids initiated by IR + UV lasers: quantum model simulations for Cl((2)P(3/2)) + X(2)(ν) → XCl + X in X(2) matrices (X = H, D). Korolkov MV; Manz J; Schild A J Phys Chem A; 2010 Sep; 114(36):9795-808. PubMed ID: 20533845 [TBL] [Abstract][Full Text] [Related]
14. Stereographic projection diffusion monte carlo (SPDMC) algorithms for molecular condensed matter. Avilés MW; Curotto E J Phys Chem A; 2007 Apr; 111(13):2610-8. PubMed ID: 17388350 [TBL] [Abstract][Full Text] [Related]
15. Rigid-body dynamics in the isothermal-isobaric ensemble: a test on the accuracy and computational efficiency. Shinoda W; Mikami M J Comput Chem; 2003 Jun; 24(8):920-30. PubMed ID: 12720312 [TBL] [Abstract][Full Text] [Related]
16. Structure and dynamics of water confined in single-wall nanotubes. Nanok T; Artrith N; Pantu P; Bopp PA; Limtrakul J J Phys Chem A; 2009 Mar; 113(10):2103-8. PubMed ID: 19115825 [TBL] [Abstract][Full Text] [Related]
17. Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping. Plattner N; Doll JD; Meuwly M J Chem Theory Comput; 2013 Sep; 9(9):4215-24. PubMed ID: 26592410 [TBL] [Abstract][Full Text] [Related]
18. The thermodynamic and ground state properties of the TIP4P water octamer. Asare E; Musah AR; Curotto E; Freeman DL; Doll JD J Chem Phys; 2009 Nov; 131(18):184508. PubMed ID: 19916613 [TBL] [Abstract][Full Text] [Related]
19. Communication: Linear-expansion shooting techniques for accelerating self-consistent field convergence. Wang YA; Yam CY; Chen YK; Chen G J Chem Phys; 2011 Jun; 134(24):241103. PubMed ID: 21721605 [TBL] [Abstract][Full Text] [Related]
20. Low-energy rotational inelastic collisions of H(+) + CO system. Kumar TJ; Kumar S J Chem Phys; 2012 Jan; 136(4):044317. PubMed ID: 22299881 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]