Year |
Citation |
Score |
2012 |
Predescu C, Lippert RA, Eastwood MP, Ierardi D, Xu H, Jensen M, Bowers KJ, Gullingsrud J, Rendleman CA, Dror RO, Shaw DE. Computationally efficient molecular dynamics integrators with improved sampling accuracy Molecular Physics. 110: 967-983. DOI: 10.1080/00268976.2012.681311 |
0.328 |
|
2006 |
Chempath S, Predescu C, Bell AT. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations. The Journal of Chemical Physics. 124: 234101. PMID 16821901 DOI: 10.1063/1.2196885 |
0.357 |
|
2006 |
Predescu C. Highly optimized fourth-order short-time approximation for path integrals. The Journal of Physical Chemistry. B. 110: 667-70. PMID 16471584 DOI: 10.1021/jp055598h |
0.314 |
|
2006 |
Small MS, Predescu C, Miller WH. Quantifying the extent of recrossing flux for quantum systems Chemical Physics. 322: 151-159. DOI: 10.1016/J.Chemphys.2005.07.036 |
0.424 |
|
2005 |
Predescu C, Miller WH. Optimal choice of dividing surface for the computation of quantum reaction rates. The Journal of Physical Chemistry. B. 109: 6491-9. PMID 16851728 DOI: 10.1021/Jp040593Q |
0.393 |
|
2005 |
Predescu C. Moments of spectral functions: Monte Carlo evaluation and verification. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 72: 056709. PMID 16383787 DOI: 10.1103/PhysRevE.72.056709 |
0.33 |
|
2005 |
Predescu C, Frantsuzov PA, Mandelshtam VA. Thermodynamics and equilibrium structure of Ne38 cluster: quantum mechanics versus classical. The Journal of Chemical Physics. 122: 154305. PMID 15945633 DOI: 10.1063/1.1860331 |
0.302 |
|
2004 |
Predescu C, Predescu M, Ciobanu CV. The incomplete beta function law for parallel tempering sampling of classical canonical systems. The Journal of Chemical Physics. 120: 4119-28. PMID 15268578 DOI: 10.1063/1.1644093 |
0.367 |
|
2004 |
Sabo D, Predescu C, Doll JD, Freeman DL. Phase changes in selected Lennard-Jones X13-nYn clusters. The Journal of Chemical Physics. 121: 856-67. PMID 15260616 DOI: 10.1063/1.1759625 |
0.502 |
|
2004 |
Predescu C. Existence of short-time approximations of any polynomial order for the computation of density matrices by path integral methods. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 056701. PMID 15244971 DOI: 10.1103/Physreve.69.056701 |
0.432 |
|
2003 |
Predescu C, Doll JD. Random series and discrete path integral methods: The Lévy-Ciesielski implementation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 026124. PMID 12636765 DOI: 10.1103/Physreve.67.026124 |
0.572 |
|
2003 |
Predescu C, Sabo D, Doll JD, Freeman DL. Heat capacity estimators for random series path-integral methods by finite-difference schemes Journal of Chemical Physics. 119: 12119-12128. DOI: 10.1063/1.1625366 |
0.54 |
|
2003 |
Predescu C, Sabo D, Doll JD, Freeman DL. Energy estimators for random series path-integral methods Journal of Chemical Physics. 119: 10475-10488. DOI: 10.1063/1.1619372 |
0.55 |
|
2003 |
Predescu C, Sabo D, Doll JD. Numerical implementation of some reweighted path integral methods Journal of Chemical Physics. 119: 4641-4654. DOI: 10.1063/1.1595640 |
0.55 |
|
2002 |
Predescu C. Local variational principle. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 066133. PMID 12513373 DOI: 10.1103/Physreve.66.066133 |
0.328 |
|
2002 |
Predescu C, Doll JD. Optimal series representations for numerical path integral simulations Journal of Chemical Physics. 117: 7448-7463. DOI: 10.1063/1.1509058 |
0.502 |
|
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