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Steven Ole Nielsen - Publications

Affiliations: 
Chemistry University of Texas at Dallas, Richardson, TX, United States 
Area:
Physical Chemistry, Molecular Chemistry, Nanoscience
Website:
http://www.utdallas.edu/chemistry/faculty/nielsen.html

55 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
2015 Wilson BA, Gelb LD, Nielsen SO. Nested sampling of isobaric phase space for the direct evaluation of the isothermal-isobaric partition function of atomic systems. The Journal of Chemical Physics. 143: 154108. PMID 26493898 DOI: 10.1063/1.4933309  0.56
2014 Shoura MJ, Ranatunga RJ, Harris SA, Nielsen SO, Levene SD. Contribution of fluorophore dynamics and solvation to resonant energy transfer in protein-DNA complexes: a molecular-dynamics study. Biophysical Journal. 107: 700-10. PMID 25099809 DOI: 10.1016/j.bpj.2014.06.023  0.56
2014 Wu J, Wilson BA, Smith DW, Nielsen SO. Towards an understanding of structure-nonlinearity relationships in triarylamine-based push-pull electro-optic chromophores: The influence of substituent and molecular conformation on molecular hyperpolarizabilities Journal of Materials Chemistry C. 2: 2591-2599. DOI: 10.1039/c3tc32510e  0.56
2013 Nielsen SO. Nested sampling in the canonical ensemble: direct calculation of the partition function from NVT trajectories. The Journal of Chemical Physics. 139: 124104. PMID 24089747 DOI: 10.1063/1.4821761  0.56
2013 Kawamoto S, Nakamura T, Nielsen SO, Shinoda W. A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation. The Journal of Chemical Physics. 139: 034108. PMID 23883011 DOI: 10.1063/1.4811677  0.56
2013 Hao J, Cheng Y, Ranatunga RJKU, Senevirathne S, Biewer MC, Nielsen SO, Wang Q, Stefan MC. A combined experimental and computational study of the substituent effect on micellar behavior of γ-substituted thermoresponsive amphiphilic poly(ε-caprolactone)s Macromolecules. 46: 4829-4838. DOI: 10.1021/ma400855z  0.56
2013 Samarajeewa DR, Dieckmann GR, Nielsen SO, Musselman IH. Doping single-walled carbon nanotubes with surfactant peptides containing electron-donor substituents and nitrogen heterocycles Carbon. 57: 88-98. DOI: 10.1016/j.carbon.2013.01.039  0.56
2012 Samarajeewa DR, Dieckmann GR, Nielsen SO, Musselman IH. Modifying the electronic properties of single-walled carbon nanotubes using designed surfactant peptides. Nanoscale. 4: 4544-54. PMID 22699559 DOI: 10.1039/c2nr30423f  0.56
2012 Chiu CC, Shinoda W, Devane RH, Nielsen SO. Effects of spherical fullerene nanoparticles on a dipalmitoyl phosphatidylcholine lipid monolayer: A coarse grain molecular dynamics approach Soft Matter. 8: 9610-9616. DOI: 10.1039/c2sm26357b  0.56
2012 Chiu CC, Devane RH, Klein ML, Shinoda W, Moore PB, Nielsen SO. Effect of carboxylation on carbon nanotube aqueous dispersibility: A predictive coarse-grained molecular dynamics approach Journal of Physical Chemistry C. 116: 23102-23106. DOI: 10.1021/jp307545m  0.56
2011 Ranatunga RJKU, Nielsen SO. Application of a continuum mean field approximation to fullerenes in lipid bilayers Current Nanoscience. 7: 667-673. DOI: 10.2174/157341311797483808  0.56
2011 Nielsen SO, Moore PB, Ensing B. Nielsen, Moore, and Ensing reply: Physical Review Letters. 107. DOI: 10.1103/PhysRevLett.107.099802  0.56
2011 Shinoda W, Nakamura T, Nielsen SO. Free energy analysis of vesicle-to-bicelle transformation Soft Matter. 7: 9012-9020. DOI: 10.1039/c1sm05404j  0.56
2011 Ranatunga RJKU, Nguyen CT, Wilson BA, Shinoda W, Nielsen SO. Molecular dynamics study of nanoparticles and non-ionic surfactant at an oil-water interface Soft Matter. 7: 6942-6952. DOI: 10.1039/c1sm05145h  0.56
2011 Ranatunga RJKU, Nguyen CT, Chiu CC, Shinoda W, Nielsen SO. Molecular dynamics simulations of nanoparticles and surfactants at oil/water interfaces: A qualitative overview Acs Symposium Series. 1070: 295-314. DOI: 10.1021/bk-2011-1070.ch018  0.56
2010 Nielsen SO, Moore PB, Ensing B. Adaptive multiscale molecular dynamics of macromolecular fluids. Physical Review Letters. 105: 237802. PMID 21231504 DOI: 10.1103/PhysRevLett.105.237802  0.44
2010 DeVane R, Jusufi A, Shinoda W, Chiu CC, Nielsen SO, Moore PB, Klein ML. Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids. The Journal of Physical Chemistry. B. 114: 16364-72. PMID 21090655 DOI: 10.1021/jp1070264  0.56
2010 Nielsen SO, Bulo RE, Moore PB, Ensing B. Recent progress in adaptive multiscale molecular dynamics simulations of soft matter. Physical Chemistry Chemical Physics : Pccp. 12: 12401-14. PMID 20734007 DOI: 10.1039/c004111d  0.44
2010 Chiu CC, DeVane R, Klein ML, Shinoda W, Moore PB, Nielsen SO. Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes. The Journal of Physical Chemistry. B. 114: 6394-400. PMID 20426450 DOI: 10.1021/jp9117375  0.56
2010 DeVane R, Klein ML, Chiu CC, Nielsen SO, Shinoda W, Moore PB. Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data. The Journal of Physical Chemistry. B. 114: 6386-93. PMID 20426449 DOI: 10.1021/jp9117369  0.56
2010 Chiu CC, Maher MC, Dieckmann GR, Nielsen SO. Molecular dynamics study of a carbon nanotube binding reversible cyclic peptide. Acs Nano. 4: 2539-46. PMID 20423073 DOI: 10.1021/nn901484w  0.56
2010 Chiu CC, Ranatunga RJ, Torres Flores D, Pérez DV, Moore PB, Shinoda W, Nielsen SO. A mean field approach for computing solid-liquid surface tension for nanoscale interfaces. The Journal of Chemical Physics. 132: 054706. PMID 20136332 DOI: 10.1063/1.3308625  0.44
2010 Udayana Ranatunga RJK, Kalescky RJB, Chiu CC, Nielsen SO. Molecular dynamics simulations of surfactant functionalized nanoparticles in the vicinity of an oil/water interface Journal of Physical Chemistry C. 114: 12151-12157. DOI: 10.1021/jp105355y  0.56
2009 Chiu CC, Moore PB, Shinoda W, Nielsen SO. Size-dependent hydrophobic to hydrophilic transition for nanoparticles: a molecular dynamics study. The Journal of Chemical Physics. 131: 244706. PMID 20059098 DOI: 10.1063/1.3276915  0.44
2009 Chiu CC, Dieckmann GR, Nielsen SO. Role of peptide--peptide interactions in stabilizing peptide-wrapped single-walled carbon nanotubes: a molecular dynamics study. Biopolymers. 92: 156-63. PMID 19226620 DOI: 10.1002/bip.21159  0.56
2009 Kalescky RJ, Shinoda W, Moore PB, Nielsen SO. Area per ligand as a function of nanoparticle radius: a theoretical and computer simulation approach. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 1352-9. PMID 19138068 DOI: 10.1021/la8032918  0.44
2009 Vázquez UOM, Shinoda W, Moore PB, Chiu CC, Nielsen SO. Calculating the surface tension between a flat solid and a liquid: A theoretical and computer simulation study of three topologically different methods Journal of Mathematical Chemistry. 45: 161-174. DOI: 10.1007/s10910-008-9374-7  0.56
2008 Chiu CC, Dieckmann GR, Nielsen SO. Molecular dynamics study of a nanotube-binding amphiphilic helical peptide at different water/hydrophobic interfaces. The Journal of Physical Chemistry. B. 112: 16326-33. PMID 19049390 DOI: 10.1021/jp805313p  0.56
2007 Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics. Journal of Chemical Theory and Computation. 3: 1100-5. PMID 26627429 DOI: 10.1021/ct600323n  0.56
2007 Ensing B, Nielsen SO, Moore PB, Klein ML, Parrinello M. Energy conservation in adaptive hybrid atomistic/coarse-grain molecular dynamics Journal of Chemical Theory and Computation. 3: 1100-1105. DOI: 10.1021/ct600323n  0.56
2007 Nielsen SO, Ensing B, Moore PB, Klein ML. Coarse Grained-to-Atomistic Mapping Algorithm: A Tool for Multiscale Simulations Multiscale Simulation Methods For Nanomaterials. 73-88. DOI: 10.1002/9780470191675.ch5  0.56
2006 Lopez CF, Nielsen SO, Srinivas G, Degrado WF, Klein ML. Probing Membrane Insertion Activity of Antimicrobial Polymers via Coarse-grain Molecular Dynamics. Journal of Chemical Theory and Computation. 2: 649-655. PMID 18985168 DOI: 10.1021/ct050298p  0.56
2006 Khurana E, Nielsen SO, Klein ML. Gemini surfactants at the air/water interface: a fully atomistic molecular dynamics study. The Journal of Physical Chemistry. B. 110: 22136-42. PMID 17078649 DOI: 10.1021/jp063343d  0.56
2006 Khurana E, Nielsen SO, Ensing B, Klein ML. Self-assembling cyclic peptides: molecular dynamics studies of dimers in polar and nonpolar solvents. The Journal of Physical Chemistry. B. 110: 18965-72. PMID 16986891 DOI: 10.1021/jp057471y  0.56
2006 Srinivas G, Nielsen SO, Moore PB, Klein ML. Molecular dynamics simulations of surfactant self-organization at a solid-liquid interface. Journal of the American Chemical Society. 128: 848-53. PMID 16417374 DOI: 10.1021/ja054846k  0.56
2006 Khurana E, Nelsen SO, Ensing B, Klein ML. Self-assembling cyclic peptides: Molecular dynamics studies of dimers in polar and nonpolar solvents Journal of Physical Chemistry B. 110: 18965-18972. DOI: 10.1021/jp057471y  0.48
2006 Ortiz V, Nielsen SO, Klein ML, Discher DE. Computer simulation of aqueous block copolymer assemblies: Length scales and methods Journal of Polymer Science, Part B: Polymer Physics. 44: 1907-1918. DOI: 10.1002/polb.20836  0.56
2005 Ortiz V, Nielsen SO, Discher DE, Klein ML, Lipowsky R, Shillcock J. Dissipative particle dynamics simulations of polymersomes. The Journal of Physical Chemistry. B. 109: 17708-14. PMID 16853266 DOI: 10.1021/jp0512762  0.56
2005 Nielsen SO, Srinivas G, Klein ML. Incorporating a hydrophobic solid into a coarse grain liquid framework: graphite in an aqueous amphiphilic environment. The Journal of Chemical Physics. 123: 124907. PMID 16392527 DOI: 10.1063/1.2009734  0.56
2005 Nielsen SO, Srinivas G, Lopez CF, Klein ML. Modeling surfactant adsorption on hydrophobic surfaces. Physical Review Letters. 94: 228301. PMID 16090439 DOI: 10.1103/PhysRevLett.94.228301  0.56
2005 Ortiz V, Nielsen SO, Klein ML, Discher DE. Unfolding a linker between helical repeats. Journal of Molecular Biology. 349: 638-47. PMID 15896349 DOI: 10.1016/j.jmb.2005.03.086  0.56
2005 Nielsen SO, Ensing B, Ortiz V, Moore PB, Klein ML. Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study. Biophysical Journal. 88: 3822-8. PMID 15778436 DOI: 10.1529/biophysj.104.057703  0.56
2005 Lopez CF, Nielsen SO, Ensing B, Moore PB, Klein ML. Structure and dynamics of model pore insertion into a membrane. Biophysical Journal. 88: 3083-94. PMID 15722425 DOI: 10.1529/biophysj.104.053769  0.56
2005 Ortiz V, Nielsen SO, Klein ML, Discher DE. Multiscale simulation studies on mechanisms of poration for hydrolytically degradable diblock copolymer membranes Aiche Annual Meeting, Conference Proceedings. 10686.  0.56
2004 Nielsen SO, Lopez CF, Ivanov I, Moore PB, Shelley JC, Klein ML. Transmembrane peptide-induced lipid sorting and mechanism of Lalpha-to-inverted phase transition using coarse-grain molecular dynamics. Biophysical Journal. 87: 2107-15. PMID 15454415 DOI: 10.1529/biophysj.104.040311  0.56
2004 Lopez CF, Nielsen SO, Moore PB, Klein ML. Understanding nature's design for a nanosyringe. Proceedings of the National Academy of Sciences of the United States of America. 101: 4431-4. PMID 15070735 DOI: 10.1073/pnas.0400352101  0.56
2004 Nielsen SO, Lopez CF, Srinivas G, Klein ML. Coarse grain models and the computer simulation of soft materials Journal of Physics Condensed Matter. 16. DOI: 10.1088/0953-8984/16/15/R03  0.56
2004 Srinivas G, Shelley JC, Nielsen SO, Discher DE, Klein ML. Simulation of diblock copolymer self-assembly, using a coarse-grain model Journal of Physical Chemistry B. 108: 8153-8160. DOI: 10.1021/jp037842f  0.56
2004 Lopez CF, Nielsen SO, Klein ML, Moore PB. Hydrogen bonding structure and dynamics of water at the dimyristoylphosphatidylcholine lipid bilayer surface from a molecular dynamics simulation Journal of Physical Chemistry B. 108: 6603-6610.  0.56
2003 Nielsen SO, Lopez CF, Srinivas G, Klein ML. A coarse grain model for n-alkanes parameterized from surface tension data Journal of Chemical Physics. 119: 7043-7049. DOI: 10.1063/1.1607955  0.56
2003 Nielsen SO, Lopez CF, Moore PB, Shelley JC, Klein ML. Molecular Dynamics Investigations of Lipid Langmuir Monolayers Using a Coarse-Grain Model Journal of Physical Chemistry B. 107: 13911-13917.  0.56
2002 Lopez CF, Nielsen SO, Moore PB, Shelley JC, Klein ML. Self-assembly of a phospholipid Langmuir monolayer using coarse-grained molecular dynamics simulations Journal of Physics Condensed Matter. 14: 9431-9444. DOI: 10.1088/0953-8984/14/40/327  0.56
2001 Nielsen S, Kapral R, Ciccotti G. Statistical mechanics of quantum-classical systems Journal of Chemical Physics. 115: 5805-5815. DOI: 10.1063/1.1400129  0.56
2000 Nielsen S, Kapral R, Ciccotti G. Mixed quantum-classical surface hopping dynamics Journal of Chemical Physics. 112: 6543-6553. DOI: 10.1063/1.481225  0.56
2000 Nielsen S, Kapral R, Ciccotti G. Non-adiabatic dynamics in mixed quantum-classical systems Journal of Statistical Physics. 101: 225-242.  0.56
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