Bakgrunn og aktiviteter
My research revolves around the investigation of transport phenomena at nanoscale interfaces (nanomaterial-fluid interfaces). Current efforts are directed towards the development of computational tools to quantify energy transport across these interfaces, and the application of these tools to design high performance materials for energy management problems (e.g., super-insulating and highly conductive media) and nanomaterials with chemical and medical applications (e.g. catalysis, medical therapies).
I am interested in the investigation of novel physical concepts for energy conversion and energy recovery applications (e.g., recovery of waste heat). We combine non-equilibrium and equilibrium computer simulations, non-equilibrium thermodynamics theory and experiments to investigate energy conversion processes in nanomaterials and biomolecules.
Vitenskapelig, faglig og kunstnerisk arbeid
Et utvalg av nyere tidsskriftspublikasjoner, kunstneriske produksjoner, bok, inklusiv bokdeler og rapport-del. Se alle publikasjoner i databasen
- (2017) The role of ion-water interactions in determining the Soret coefficient of LiCl aqueous solutions. Physical Chemistry, Chemical Physics - PCCP. vol. 19 (14).
- (2016) Heads or tails: How do chemically substituted fullerenes melt?. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (26).
- (2016) Molecular alignment in molecular fluids induced by coupling between density and thermal gradients. Physical Chemistry, Chemical Physics - PCCP. vol. 18 (17).
- (2016) Polarisation of polar dumbbell fluids in thermal gradients: the importance of the treatment of electrostatic interactions. Molecular Physics. vol. 114.
- (2016) Chemical Energy at the Nanoscale – Simulation Meets Experiment. Neutron News. vol. 27 (3).
- (2016) 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. vol. 18 (29).
- (2016) Non-equilibrium molecular dynamics simulations of the thermal transport properties of Lennard-Jones fluids using configurational temperatures. Molecular Simulation. vol. 42 (14).
- (2016) Force-field dependence on the liquid-expanded to liquid-condensed transition in DPPC monolayers. Molecular Simulation. vol. 42 (5).
- (2015) Temperature inversion of the thermal polarization of water. Physical Review E. Statistical, Nonlinear, and Soft Matter Physics. vol. 92 (6).
- (2015) Molecular dynamics simulations of 2-(Dimethylamino)ethanol (DMEA). Journal of Physical Chemistry B. vol. 119 (15).
- (2015) Lithium ion-water clusters in strong electric fields: A quantum chemical study. Journal of Physical Chemistry A. vol. 119 (20).
- (2015) A New Force Field of Formamide and the Effect of the Dielectric Constant on Miscibility. Journal of Chemical Theory and Computation. vol. 11 (6).
- (2015) Bubble nucleation in simple and molecular liquids via the largest spherical cavity method. Journal of Chemical Physics. vol. 142 (15).
- (2014) Communication: Minimum in the thermal conductivity of supercooled water: A computer simulation study. Journal of Chemical Physics. vol. 140 (16).
- (2014) Thermo-molecular orientation effects in fluids of dipolar dumbbells. Physical Chemistry, Chemical Physics - PCCP. vol. 16 (40).
- (2014) Interface deformations affect the orientation transition of magnetic ellipsoidal particles adsorbed at fluid-fluid interfaces. Soft Matter. vol. 10 (35).
- (2013) Water polarization induced by thermal gradients: The extended simple point charge model (SPC/E). Journal of Chemical Physics. vol. 139 (1).
- (2013) Enhancement of the Thermal. Polarization of Water via Heat Flux and Dipole Moment Dynamic Correlations. Journal of Physical Chemistry B. vol. 117 (47).
- (2013) Heat transport in liquid water at extreme pressures: A non equilibrium molecular dynamics study. Journal of Molecular Liquids. vol. 185.
- (2013) Alkali halide solutions under thermal gradients: soret coefficients and heat transfer mechanisms. Journal of Physical Chemistry B. vol. 117 (27).