Deyu Lu, Ph.D. - Publications

2005 University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
theoretical biophysics

29 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
2020 Carbone MR, Topsakal M, Lu D, Yoo S. Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy. Physical Review Letters. 124: 156401. PMID 32357067 DOI: 10.1103/Physrevlett.124.156401  0.316
2020 Tang F, Jiang X, Ko H, Xu J, Topsakal M, Hao G, N'Diaye AT, Dowben PA, Lu D, Xu X, Wu X. Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.034401  0.333
2019 Lovat G, Doud EA, Lu D, Kladnik G, Inkpen MS, Steigerwald ML, Cvetko D, Hybertsen MS, Morgante A, Roy X, Venkataraman L. Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. Chemical Science. 10: 930-935. PMID 30774887 DOI: 10.1039/C8Sc03502D  0.322
2019 Kottwitz M, Li Y, Palomino RM, Liu Z, Wang G, Wu Q, Huang J, Timoshenko J, Senanayake SD, Balasubramanian M, Lu D, Nuzzo RG, Frenkel AI. Local Structure and Electronic State of Atomically Dispersed Pt Supported on Nanosized CeO2 Acs Catalysis. 9: 8738-8748. DOI: 10.1021/Acscatal.9B02083  0.332
2019 Zhong J, Wang M, Akter N, Stacchiola DJ, Lu D, Boscoboinik JA. Room-Temperature in Vacuo Chemisorption of Xenon Atoms on Ru(0001) under Interface Confinement The Journal of Physical Chemistry C. 123: 13578-13585. DOI: 10.1021/Acs.Jpcc.9B01110  0.353
2018 Singh H, Topsakal M, Attenkofer K, Wolf T, Leskes M, Duan Y, Wang F, Vinson J, Lu D, Frenkel AI. Identification of dopant site and its effect on electrochemical activity in Mn-doped lithium titanate. Physical Review Materials. 2. PMID 31093600 DOI: 10.1103/Physrevmaterials.2.125403  0.325
2018 Ravel B, Kropf AJ, Yang D, Wang M, Topsakal M, Lu D, Stennett MC, Hyatt NC. Nonresonant valence-to-core x-ray emission spectroscopy of niobium. Physical Review. B. 97. PMID 31080938 DOI: 10.1103/Physrevb.97.125139  0.305
2018 Wang M, Zhong J, Stacchiola DJ, Boscoboinik JA, Lu D. First-Principles Study of Interface Structures and Charge Rearrangement at the Aluminosilicate/Ru(0001) Heterojunction The Journal of Physical Chemistry C. 123: 7731-7739. DOI: 10.1021/Acs.Jpcc.8B05853  0.32
2017 Tao J, Chen J, Li J, Mathurin L, Zheng JC, Li Y, Lu D, Cao Y, Wu L, Cava RJ, Zhu Y. Reversible structure manipulation by tuning carrier concentration in metastable Cu2S. Proceedings of the National Academy of Sciences of the United States of America. PMID 28855335 DOI: 10.1073/Pnas.1709163114  0.304
2017 Lu F, Zhang Y, Liu S, Lu D, Su D, Liu M, Zhang Y, Liu P, Wang JX, Adzic RR, Gang O. Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution. Journal of the American Chemical Society. PMID 28493691 DOI: 10.1021/Jacs.7B01735  0.32
2017 Ge X, Lu D. Molecular polarizability of water from local dielectric response theory Physical Review B. 96: 75114. DOI: 10.1103/Physrevb.96.075114  0.327
2016 Timoshenko J, Shivhare A, Scott RW, Lu D, Frenkel AI. Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure. Physical Chemistry Chemical Physics : Pccp. PMID 27381015 DOI: 10.1039/C6Cp04030F  0.31
2016 Wang M, Zhong J, Kestell J, Waluyo I, Stacchiola DJ, Boscoboinik JA, Lu D. Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles Topics in Catalysis. 60: 481-491. DOI: 10.1007/S11244-016-0704-X  0.334
2013 Kaur A, Ylvisaker ER, Lu D, Pham TA, Galli G, Pickett WE. Spectral representation analysis of dielectric screening in solids and molecules Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.155144  0.322
2012 Ping Y, Rocca D, Lu D, Galli G. Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.035316  0.31
2010 Rocca D, Lu D, Galli G. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory. The Journal of Chemical Physics. 133: 164109. PMID 21033777 DOI: 10.1063/1.3494540  0.342
2010 Li Y, Lu D, Nguyen HV, Galli G. Van der waals interactions in molecular assemblies from first-principles calculations. The Journal of Physical Chemistry. A. 114: 1944-52. PMID 20043660 DOI: 10.1021/Jp9095425  0.302
2009 Li Y, Lu D, Galli G. Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111). Journal of Chemical Theory and Computation. 5: 881-6. PMID 26609596 DOI: 10.1021/Ct800465F  0.304
2009 Lu D, Li Y, Rocca D, Galli G. Ab initio calculation of van der Waals bonded molecular crystals. Physical Review Letters. 102: 206411. PMID 19519054 DOI: 10.1103/Physrevlett.102.206411  0.321
2008 Li Y, Lu D, Swanson SA, Scott JC, Galli G. Microscopic characterization of the interface between aromatic isocyanides and Au(111): A first-principles investigation Journal of Physical Chemistry C. 112: 6413-6421. DOI: 10.1021/Jp7111044  0.341
2006 Lu D, Aksimentiev A, Shih AY, Cruz-Chu E, Freddolino PL, Arkhipov A, Schulten K. The role of molecular modeling in bionanotechnology. Physical Biology. 3: S40-53. PMID 16582464 DOI: 10.1088/1478-3975/3/1/S05  0.633
2005 Li Y, Lu D, Schulten K, Ravaioli U, Rotkin SV. Screening of Water Dipoles Inside Finite-Length Armchair Carbon Nanotubes. Journal of Computational Electronics. 4: 161-165. PMID 18958297 DOI: 10.1007/s10825-005-7130-9  0.372
2005 Lu D, Li Y, Ravaioli U, Schulten K. Empirical nanotube model for biological applications. The Journal of Physical Chemistry. B. 109: 11461-7. PMID 16852403 DOI: 10.1021/Jp050420G  0.478
2005 Lu D, Li Y, Ravaioli U, Schulten K. Ion-nanotube terahertz oscillator. Physical Review Letters. 95: 246801. PMID 16384404 DOI: 10.1103/Physrevlett.95.246801  0.424
2004 Sener MK, Park S, Lu D, Damjanovic A, Ritz T, Fromme P, Schulten K. Excitation migration in trimeric cyanobacterial photosystem I. The Journal of Chemical Physics. 120: 11183-95. PMID 15268148 DOI: 10.1063/1.1739400  0.682
2004 Lu D, Li Y, Rotkin SV, Ravaioli U, Schulten K. Finite-size effect and wall polarization in a carbon nanotube channel Nano Letters. 4: 2383-2387. DOI: 10.1021/Nl0485511  0.445
2003 Lu D, Grayson P, Schulten K. Glycerol conductance and physical asymmetry of the Escherichia coli glycerol facilitator GlpF. Biophysical Journal. 85: 2977-87. PMID 14581200 DOI: 10.1016/S0006-3495(03)74718-3  0.417
2003 Park S, Sener MK, Lu D, Schulten K. Reaction paths based on mean first-passage times Journal of Chemical Physics. 119: 1313-1319. DOI: 10.1063/1.1570396  0.529
2002 Sener MK, Lu D, Ritz T, Park S, Fromme P, Schulten K. Robustness and optimality of light harvesting in cyanobacterial photosystem I Journal of Physical Chemistry B. 106: 7948-7960. DOI: 10.1021/Jp020708V  0.699
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