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Nandou Lu, Ph.D. - Publications

Affiliations: 
2002 State University of New York, Buffalo, Buffalo, NY, United States 
Area:
Chemical Engineering, Molecular Physics
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14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Du P, Lu N. Energy Storage for Smart Grids: Planning and Operation for Renewable and Variable Energy Resources (VERs) Energy Storage For Smart Grids: Planning and Operation For Renewable and Variable Energy Resources (Vers). 1-331.  0.342
2007 Lu N, Woolf TB. Understanding and improving free energy calculations in molecular simulations: Error analysis and reduction methods Springer Series in Chemical Physics. 86: 199-247. DOI: 10.1007/978-3-540-38448-9_6  0.606
2005 Nanda H, Lu N, Woolf TB. Using non-Gaussian density functional fits to improve relative free energy calculations. The Journal of Chemical Physics. 122: 134110. PMID 15847458 DOI: 10.1063/1.1877252  0.547
2004 Lu N, Wu D, Woolf TB, Kofke DA. Using overlap and funnel sampling to obtain accurate free energies from nonequilibrium work measurements. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 057702. PMID 15244984 DOI: 10.1103/Physreve.69.057702  0.703
2004 Woolf TB, Zuckerman DM, Lu N, Jang H. Tools for channels: moving towards molecular calculations of gating and permeation in ion channel biophysics. Journal of Molecular Graphics & Modelling. 22: 359-68. PMID 15099832 DOI: 10.1016/J.Jmgm.2003.12.003  0.314
2004 Lu N, Kofke DA, Woolf TB. Improving the efficiency and reliability of free energy perturbation calculations using overlap sampling methods. Journal of Computational Chemistry. 25: 28-39. PMID 14634991 DOI: 10.1002/Jcc.10369  0.708
2004 Lu N, Woolf TB. Overlap perturbation methods for computing alchemical free energy changes: Variants, generalizations and evaluations Molecular Physics. 102: 173-181. DOI: 10.1080/00268970310001644603  0.625
2003 Lu N, Adhikari J, Kofke DA. Variational formula for the free energy based on incomplete sampling in a molecular simulation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 026122. PMID 14525064 DOI: 10.1103/Physreve.68.026122  0.704
2003 Lu N, Singh JK, Kofke DA. Appropriate methods to combine forward and reverse free-energy perturbation averages Journal of Chemical Physics. 118: 2977-2984. DOI: 10.1063/1.1537241  0.69
2003 Lu N, Kofke DA, Woolf TB. Staging Is More Important than Perturbation Method for Computation of Enthalpy and Entropy Changes in Complex Systems The Journal of Physical Chemistry B. 107: 5598-5611. DOI: 10.1021/Jp027627J  0.464
2002 Lu N, Barnes CD, Kofke DA. Free-energy calculations for fluid and solid phases by molecular simulation Fluid Phase Equilibria. 194: 219-226. DOI: 10.1016/S0378-3812(01)00672-0  0.715
2001 Lu N, Kofke DA. Accuracy of free-energy perturbation calculations in molecular simulation. II. Heuristics Journal of Chemical Physics. 115: 6866-6875. DOI: 10.1063/1.1405449  0.635
2001 Lu N, Kofke DA. Accuracy of free-energy perturbation calculations in molecular simulation. I. Modeling Journal of Chemical Physics. 114: 7303-7311. DOI: 10.1063/1.1359181  0.708
1999 Lu N, Kofke DA. Optimal intermediates in staged free energy calculations The Journal of Chemical Physics. 111: 4414-4423. DOI: 10.1063/1.479206  0.688
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