Year |
Citation |
Score |
2020 |
Neidhart SM, Gezelter JD. Thermal Conductivity of Gold–Phenylethanethiol (Au144PET60) Nanoarrays: A Molecular Dynamics Study Journal of Physical Chemistry C. 124: 3389-3395. DOI: 10.1021/Acs.Jpcc.9B10895 |
0.372 |
|
2019 |
Bhattarai H, Newman KE, Gezelter JD. Polarizable potentials for metals: The density readjusting embedded atom method (DR-EAM) Physical Review B. 99. DOI: 10.1103/Physrevb.99.094106 |
0.373 |
|
2018 |
Louden PB, Gezelter JD. Why is Ice Slippery? Simulations of Shear Viscosity of the Quasi-Liquid Layer on Ice. The Journal of Physical Chemistry Letters. 3686-3691. PMID 29916247 DOI: 10.1021/Acs.Jpclett.8B01339 |
0.323 |
|
2018 |
Neidhart SM, Gezelter JD. Thermal Transport is Influenced by Nanoparticle Morphology: A Molecular Dynamics Study Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.7B12362 |
0.391 |
|
2017 |
Louden PB, Gezelter JD. Friction at Ice-Ih/Water Interfaces Is Governed by Solid/Liquid Hydrogen-Bonding Journal of Physical Chemistry C. 121: 26764-26776. DOI: 10.1021/Acs.Jpcc.7B07169 |
0.347 |
|
2016 |
Lamichhane M, Parsons T, Newman KE, Gezelter JD. Real space electrostatics for multipoles. III. Dielectric properties. The Journal of Chemical Physics. 145: 074108. PMID 27544088 DOI: 10.1063/1.4960957 |
0.333 |
|
2016 |
Stocker KM, Neidhart SM, Gezelter JD. Interfacial thermal conductance of thiolate-protected gold nanospheres Journal of Applied Physics. 119. DOI: 10.1063/1.4939956 |
0.335 |
|
2016 |
Michalka JR, Latham AP, Gezelter JD. CO-Induced Restructuring on Stepped Pt Surfaces: A Molecular Dynamics Study Journal of Physical Chemistry C. 120: 18180-18190. DOI: 10.1021/Acs.Jpcc.6B06619 |
0.324 |
|
2015 |
Hannah DC, Gezelter JD, Schaller RD, Schatz GC. Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces. Acs Nano. 9: 6278-87. PMID 26020654 DOI: 10.1021/Acsnano.5B01724 |
0.332 |
|
2015 |
Michalka JR, Gezelter JD. Island formation on Pt/Pd(557) surface alloys in the presence of adsorbed CO: A molecular dynamics study Journal of Physical Chemistry C. 119: 14239-14247. DOI: 10.1021/Acs.Jpcc.5B03586 |
0.304 |
|
2014 |
Stocker KM, Gezelter JD. A Method for Creating Thermal and Angular Momentum Fluxes in Nonperiodic Simulations. Journal of Chemical Theory and Computation. 10: 1878-86. PMID 26580518 DOI: 10.1021/Ct500221U |
0.413 |
|
2014 |
Lamichhane M, Newman KE, Gezelter JD. Real space electrostatics for multipoles. II. Comparisons with the Ewald sum. The Journal of Chemical Physics. 141: 134110. PMID 25296787 DOI: 10.1063/1.4896628 |
0.398 |
|
2014 |
Lamichhane M, Gezelter JD, Newman KE. Real space electrostatics for multipoles. I. Development of methods. The Journal of Chemical Physics. 141: 134109. PMID 25296786 DOI: 10.1063/1.4896627 |
0.359 |
|
2014 |
Marr JM, Gezelter JD. Nitrile vibrations as reporters of field-induced phase transitions in 4-cyano-4'-pentylbiphenyl (5CB). The Journal of Physical Chemistry. B. 118: 8441-8. PMID 24849745 DOI: 10.1021/Jp503235S |
0.312 |
|
2013 |
Louden PB, Gezelter JD. Simulations of solid-liquid friction at ice-I(h)/water interfaces. The Journal of Chemical Physics. 139: 194710. PMID 24320347 DOI: 10.1063/1.4832378 |
0.372 |
|
2013 |
Michalka JR, McIntyre PW, Gezelter JD. Molecular dynamics simulations of the surface reconstructions of Pt(557) and Au(557) under Exposure to CO Journal of Physical Chemistry C. 117: 14579-14587. DOI: 10.1021/Jp402798N |
0.355 |
|
2013 |
Stocker KM, Gezelter JD. Simulations of heat conduction at thiolate-capped gold surfaces: The role of chain length and solvent penetration Journal of Physical Chemistry C. 117: 7605-7612. DOI: 10.1021/Jp312734F |
0.363 |
|
2012 |
Kuang S, Gezelter JD. Velocity shearing and scaling RNEMD: A minimally perturbing method for simulating temperature and momentum gradients Molecular Physics. 110: 691-701. DOI: 10.1080/00268976.2012.680512 |
0.585 |
|
2011 |
Vardeman CF, Stocker KM, Gezelter JD. The Langevin Hull: Constant pressure and temperature dynamics for non-periodic systems. Journal of Chemical Theory and Computation. 7: 834-842. PMID 21547015 DOI: 10.1021/Ct100670M |
0.728 |
|
2011 |
Kuang S, Gezelter JD. Simulating interfacial thermal conductance at metal-solvent interfaces: The role of chemical capping agents Journal of Physical Chemistry C. 115: 22475-22483. DOI: 10.1021/Jp2073478 |
0.57 |
|
2010 |
Kuang S, Gezelter JD. A gentler approach to RNEMD: nonisotropic velocity scaling for computing thermal conductivity and shear viscosity. The Journal of Chemical Physics. 133: 164101. PMID 21033769 DOI: 10.1063/1.3499947 |
0.594 |
|
2008 |
Sun X, Lin T, Gezelter JD. Langevin dynamics for rigid bodies of arbitrary shape. The Journal of Chemical Physics. 128: 234107. PMID 18570491 DOI: 10.1063/1.2936991 |
0.577 |
|
2008 |
Sun X, Gezelter JD. Dipolar ordering in the ripple phases of molecular-scale models of lipid membranes. The Journal of Physical Chemistry. B. 112: 1968-75. PMID 18225883 DOI: 10.1021/Jp0762020 |
0.313 |
|
2008 |
Vardeman CF, Gezelter JD. Simulations of laser-induced glass formation in Ag-Cu nanoparticles Journal of Physical Chemistry C. 112: 3283-3293. DOI: 10.1021/Jp710063G |
0.739 |
|
2006 |
Fennell CJ, Gezelter JD. Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics. The Journal of Chemical Physics. 124: 234104. PMID 16821904 DOI: 10.1063/1.2206581 |
0.713 |
|
2005 |
Fennell CJ, Gezelter JD. Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih. Journal of Chemical Theory and Computation. 1: 662-7. PMID 26641688 DOI: 10.1021/Ct050005S |
0.682 |
|
2005 |
Vardeman CF, Conforti PF, Sprague MM, Gezelter JD. Breathing mode dynamics and elastic properties of gold nanoparticles. The Journal of Physical Chemistry. B. 109: 16695-9. PMID 16853124 DOI: 10.1021/Jp051575R |
0.719 |
|
2005 |
Meineke MA, Vardeman CF, Lin T, Fennell CJ, Gezelter JD. OOPSE: an object-oriented parallel simulation engine for molecular dynamics. Journal of Computational Chemistry. 26: 252-71. PMID 15614795 DOI: 10.1002/Jcc.20161 |
0.605 |
|
2005 |
Fennell CJ, Gezelter JD. Computational free energy studies of a new ice polymorph which exhibits greater stability than ice Ih Journal of Chemical Theory and Computation. 1: 662-667. DOI: 10.1021/ct050005s |
0.637 |
|
2004 |
Fennell CJ, Gezelter JD. On the structural and transport properties of the soft sticky dipole and related single-point water models. The Journal of Chemical Physics. 120: 9175-84. PMID 15267854 DOI: 10.1063/1.1697381 |
0.696 |
|
2002 |
Shibata T, Bunker BA, Zhang Z, Meisel D, Vardeman CF, Gezelter JD. Size-dependent spontaneous alloying of Au-Ag nanoparticles. Journal of the American Chemical Society. 124: 11989-96. PMID 12358545 DOI: 10.1021/Ja026764R |
0.716 |
|
2001 |
Vardeman CF, Gezelter JD. Comparing models for diffusion in supercooled liquids: The eutectic composition of the Ag-Cu alloy Journal of Physical Chemistry A. 105: 2568-2574. |
0.675 |
|
2000 |
Rabani E, Gezelter JD, Berne BJ. Rabani, gezelter, and berne reply: Physical Review Letters. 85: 467. PMID 10991311 DOI: 10.1103/Physrevlett.85.467 |
0.407 |
|
1999 |
Rabani E, Gezelter JD, Berne BJ. Direct observation of stretched-exponential relaxation in low-temperature Lennard-Jones systems using the cage correlation function Physical Review Letters. 82: 3649-3652. DOI: 10.1103/Physrevlett.82.3649 |
0.513 |
|
1998 |
Gezelter JD, Rabani E, Berne BJ. Response to “Comment on a critique of the instantaneous normal mode (INM) approach to diffusion” [J. Chem. Phys. 109, 4693 (1998)] The Journal of Chemical Physics. 109: 4695-4696. DOI: 10.1063/1.477081 |
0.489 |
|
1997 |
Rabani E, Gezelter JD, Berne BJ. Calculating the hopping rate for self-diffusion on rough potential energy surfaces: Cage correlations Journal of Chemical Physics. 107: 6867-6876. DOI: 10.1063/1.474927 |
0.525 |
|
1997 |
Gezelter JD, Rabani E, Berne BJ. Can imaginary instantaneous normal mode frequencies predict barriers to self-diffusion? Journal of Chemical Physics. 107: 4618-4627. DOI: 10.1063/1.474822 |
0.514 |
|
1996 |
Gezelter JD, Miller WH. Dynamics of the photodissociation of triplet ketene The Journal of Chemical Physics. 104: 3546-3554. DOI: 10.1063/1.471059 |
0.477 |
|
1995 |
Gezelter JD, Miller WH. Resonant features in the energy dependence of the rate of ketene isomerization The Journal of Chemical Physics. 103: 7868-7876. DOI: 10.1063/1.470204 |
0.465 |
|
1992 |
Sewell TD, Thompson DL, Gezelter JD, Miller WH. Some problems of correcting the zero-point energy problem in classical trajectories Chemical Physics Letters. 193: 512-517. DOI: 10.1016/0009-2614(92)85841-W |
0.487 |
|
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