Current Research Information SysTem In Norway
 
 

 English version


 
Hovedside
Forskningsresultater/NVI
Forskere
Prosjekter
Forskningsenheter
Logg inn
Om Cristin
 
 
   
Eksporter til


Viser treff 1-40 av 40

2017
1 Di Lecce, Silvia; Albrecht, Tim; Bresme, Fernando.
The role of ion-water interactions in determining the Soret coefficient of LiCl aqueous solutions. Physical Chemistry, Chemical Physics - PCCP 2017 ;Volum 19.(14) s. 9575-9583
NTNU Untitled
 
2016
2 Armstrong, Jeff; Mukhopadhyay, Sanghamitra; Bresme, Fernando; Fernandez-Alonso, Felix.
Heads or tails: How do chemically substituted fullerenes melt?. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(26) s. 17202-17209
NTNU Untitled
 
3 Daub, Christopher David; Tafjord, Joakim; Kjelstrup, Signe; Bedeaux, Dick; Bresme, Fernando.
Molecular alignment in confined fluids: Can we separate the influence of density and thermal gradients?. XXV SITGES Conference; 2016-06-06 - 2016-06-10
NTNU Untitled
 
4 Daub, Christopher David; Tafjord, Joakim; Kjelstrup, Signe; Bedeaux, Dick; Bresme, Fernando.
Molecular alignment in molecular fluids induced by coupling between density and thermal gradients. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(17) s. 12213-12220
NTNU Untitled
 
5 Daub, Christopher David; Åstrand, Per-Olof; Bresme, Fernando.
Polarisation of polar dumbbell fluids in thermal gradients: the importance of the treatment of electrostatic interactions. Molecular Physics 2016 ;Volum 114. s. 3249-3254
NTNU Untitled
 
6 Fernandez-Alonso, Felix; Bresme, Fernando.
Chemical Energy at the Nanoscale – Simulation Meets Experiment. Neutron News 2016 ;Volum 27.(3) s. 7-8
NTNU Untitled
 
7 Iriarte-Carretero, Irene; Gonzalez, Miguel A; Armstrong, Jeff; Fernandez-Alonso, Felix; Bresme, Fernando.
The rich phase behavior of the thermopolarization of water: From a reversal in the polarization, to enhancement near criticality conditions. Physical Chemistry, Chemical Physics - PCCP 2016 ;Volum 18.(29) s. 19894-19901
NTNU Untitled
 
8 Jackson, Niall; Rubi, J. Miguel; Bresme, Fernando.
Non-equilibrium molecular dynamics simulations of the thermal transport properties of Lennard-Jones fluids using configurational temperatures. Molecular Simulation 2016 ;Volum 42.(14) s. 1214-1222
NTNU Untitled
 
9 Mohammad-Aghaie, Delara; Bresme, Fernando.
Force-field dependence on the liquid-expanded to liquid-condensed transition in DPPC monolayers. Molecular Simulation 2016 ;Volum 42.(5) s. 391-397
NTNU Untitled
 
10 Walderhaug, Martin E.
Properties of gold clusters and molecule-coated gold clusters as studied by molecular modeling. : NTNU-IKJ 2016 69 s.
NTNU Untitled
 
2015
11 Armstrong, Jeff; Bresme, Fernando.
Temperature inversion of the thermal polarization of water. Physical Review E. Statistical, Nonlinear, and Soft Matter Physics 2015 ;Volum 92.(6)
NTNU Untitled
 
12 Armstrong, Jeff; Daub, Christopher David; Bresme, Fernando.
Note: How does the treatment of electrostatic interactions influence the magnitude of thermal polarization of water? The SPC/E model. Journal of Chemical Physics 2015 ;Volum 143.(3) s. -
NTNU Untitled
 
13 Bringas, Guadalupe; Navarro-Santos, Pedro; Lopez-Rendon, Roberto; Lopez-Lemus, Jorge; Bresme, Fernando.
Molecular dynamics simulations of 2-(Dimethylamino)ethanol (DMEA). Journal of Physical Chemistry B 2015 ;Volum 119.(15) s. 5035-5046
NTNU Untitled
 
14 Daub, Christopher David; Tafjord, Joakim; Kjelstrup, Signe; Åstrand, Per-Olof; Bresme, Fernando.
Interplay between thermomolecular orientation and imposed density gradients in models of confined fluids. Pacifichem 2015; 2015-12-15 - 2015-12-21
NTNU Untitled
 
15 Daub, Christopher David; Zamiri, Reza; Österberg, Ulf Lennart; Åstrand, Per-Olof; Bresme, Fernando.
Probing thermomolecular orientation and fluid polarization by terahertz spectroscopy: Molecular dynamics simulations and experiments. Pacifichem 2015; 2015-12-15 - 2015-12-21
NTNU Untitled
 
16 Daub, Christopher David; Åstrand, Per-Olof; Bresme, Fernando.
Lithium ion-water clusters in strong electric fields: A quantum chemical study. Journal of Physical Chemistry A 2015 ;Volum 119.(20) s. 4983-4992
NTNU Untitled
 
17 Daub, Christopher David; Åstrand, Per-Olof; Tafjord, Joakim; Kjelstrup, Signe; Bresme, Fernando.
Orientational Effects in a Model Fluid Between Confining Walls and in a Thermal Gradient and/or an External Gravitational Field. 19th Symposium on Thermophysical Properties; 2015-06-21 - 2015-06-26
NTNU Untitled
 
18 Daub, Christopher David; Åstrand, Per-Olof; Zamiri, Reza; Österberg, Ulf Lennart; Bresme, Fernando.
Structural and Dynamic Correlations of Alkali Halide Salts in Water/Alcohol Mixtures: a Combined Optical Kerr Effect (OKE) Spectroscopy and Molecular Dynamics Investigation. 19th Symposium on Thermophysical Properties; 2015-06-21 - 2015-06-26
NTNU Untitled
 
19 De La Luz, Alexander Perez; Mendez-Maldonado, G Arlette; Nunez-Rojas, Edgar; Bresme, Fernando; Alejandre, Jose.
A New Force Field of Formamide and the Effect of the Dielectric Constant on Miscibility. Journal of Chemical Theory and Computation 2015 ;Volum 11.(6) s. 2792-2800
NTNU Untitled
 
20 Gonzalez, Miguel A; Abascal, Jose L F; Valeriani, Chantal; Bresme, Fernando.
Bubble nucleation in simple and molecular liquids via the largest spherical cavity method. Journal of Chemical Physics 2015 ;Volum 142.(15) s. -
NTNU Untitled
 
2014
21 Bresme, Fernando; Armstrong, Jeff.
Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations. Journal of Chemical Physics 2014 ;Volum 140.(1)
NTNU Untitled
 
22 Bresme, Fernando; Biddle, J; Sengers, J.v.; Anisimov, M.
Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study. Journal of Chemical Physics 2014 ;Volum 140.(16) s. -
NTNU Untitled
 
23 Daub, Christopher David; Åstrand, Per-Olof; Bresme, Fernando.
Thermo-molecular orientation effects in fluids of dipolar dumbbells. Physical Chemistry, Chemical Physics - PCCP 2014 ;Volum 16.(40) s. 22097-22106
NTNU Untitled
 
24 Daub, Christopher David; Åstrand, Per-Olof; Österberg, Ulf Lennart; Bresme, Fernando.
Molecular reorientation in fluids resulting from thermal gradients. 248th American Chemical Society National Meeting; 2014-08-10 - 2014-08-14
NTNU Untitled
 
25 Davies, G; Kruger, Tim; Coveney, Peter; Harting, Jens; Bresme, Fernando.
Interface deformations affect the orientation transition of magnetic ellipsoidal particles adsorbed at fluid-fluid interfaces. Soft Matter 2014 ;Volum 10.(35) s. 6742-6748
NTNU Untitled
 
26 Davies, Gary; Kruger, Tim; Coveney, Peter; Harting, Jens; Bresme, Fernando.
Assembling ellipsoidal particles at fluid interfaces using switchable dipolar capillary interactions. Advanced Materials 2014 ;Volum 26.(39) s. 6715-6719
NTNU Untitled
 
2013
27 Armstrong, JA; Bresme, Fernando.
Water polarization induced by thermal gradients: The extended simple point charge model (SPC/E). Journal of Chemical Physics 2013 ;Volum 139.(1) s. -
NTNU Untitled
 
28 Armstrong, Jeff; Lervik, Anders; Bresme, Fernando.
Enhancement of the Thermal. Polarization of Water via Heat Flux and Dipole Moment Dynamic Correlations. Journal of Physical Chemistry B 2013 ;Volum 117.(47) s. 14817-14826
NTNU Untitled
 
29 Bresme, Fernando; Römer, Frank.
Heat transport in liquid water at extreme pressures: A non equilibrium molecular dynamics study. Journal of Molecular Liquids 2013 ;Volum 185. s. 1-7
NTNU Untitled
 
30 Römer, Frank; Wang, Zilin; Wiegand, Simone; Bresme, Fernando.
Alkali halide solutions under thermal gradients: soret coefficients and heat transfer mechanisms. Journal of Physical Chemistry B 2013 ;Volum 117.(27) s. 8209-8222
NTNU Untitled
 
31 Serapian, SA; Bearpark, MJ; Bresme, Fernando.
The shape of Au-8: gold leaf or gold nugget?. Nanoscale Research Letters 2013 ;Volum 5.(14) s. 6445-6457
NTNU Untitled
 
32 Tarazona, P; Chacon, E; Bresme, Fernando.
Thermal fluctuations and bending rigidity of bilayer membranes. Journal of Chemical Physics 2013 ;Volum 139.(9) s. -
NTNU Untitled
 
2012
33 Bresme, Fernando; Chacon, E; Tarazona, P; Wynveen, A.
The structure of ionic aqueous solutions at interfaces: An intrinsic structure analysis. Journal of Chemical Physics 2012 ;Volum 137.(11) s. -
NTNU Untitled
 
34 Iglauer, Stefan; Mathew, MS; Bresme, Fernando.
Molecular dynamics computations of brine-CO2 interfacial tensions and brine-CO2-quartz contact angles and their effects on structural and residual trapping mechanisms in carbon geo-sequestration. Journal of Colloid and Interface Science 2012 ;Volum 386. s. 405-414
NTNU Untitled
 
35 Lervik, Anders; Bresme, Fernando; Kjelstrup, Signe; Rubi, J. Miguel.
On the Thermodynamic Efficiency of Ca2+-ATPase Molecular Machines. Biophysical Journal 2012 ;Volum 103.(6) s. 1218-1226
NTNU Untitled
 
36 Lervik, Anders.
Energy dissipation in biomolecular machines. Trondheim: NTNU, Insitutt for kjemi 2012 (ISBN 978-82-471-3765-9) ;Volum 2012.138 s. Doktoravhandlinger ved NTNU(231)
NTNU Untitled
 
37 Lervik, Anders; Kjelstrup, Signe; Bresme, Fernando.
Molecular dynamics simulations of the Ca2+-pump: A structural analysis. Physical Chemistry, Chemical Physics - PCCP 2012 ;Volum 14.(10) s. 3543-3553
NTNU Untitled
 
38 Römer, Frank; Bresme, Fernando.
Heat conduction and thermomolecular orientation in diatomic fluids: a non-equilibrium molecular dynamics study. Molecular Simulation 2012 ;Volum 38.(14-15) s. 1198-1208
NTNU Untitled
 
39 Römer, Frank; Lervik, Anders; Bresme, Fernando.
Nonequilibrium molecular dynamics simulations of the thermal conductivity of water: A systematic investigation of the SPC/E and TIP4P/2005 models. Journal of Chemical Physics 2012 ;Volum 137.(7) s. -
NTNU Untitled
 
40 Römer, Frank; Muscatello, Jordan; Bedeaux, Dick; Rubi, J. Miguel; Bresme, Fernando.
Thermomolecular Orientation of Nonpolar Fluids. Physical Review Letters 2012 ;Volum 108.(10) s. 105901-4
NTNU Untitled