If you made any changes in Pure these will be visible here soon.

Research Output 2004 2019

Filter
Article
2019
2 Citations (Scopus)

Ionic liquids tethered to a preorganised 1,2-diamide motif for extraction of lanthanides

Gunaratne, H., Nockemann, P., Robertson, P., Stella, L., Boyd, R. & Seddon, K., 26 Mar 2019, In : Green Chemistry. 21, p. 2583-2588 6 p.

Research output: Contribution to journalArticle

Diamide
Ionic Liquids
Lanthanoid Series Elements
Rare earth elements
Ionic liquids

Multicharge Zwitterionic Molecules: Hydration, Kosmotropicity and Anti-fouling Potential

Level, G., Zhang, J., Brown, J., Hammond, O., Hannigan, B., Stella, L., Nockemann, P. & Blesic, M., 18 Dec 2019, In : Journal of Colloid and Interface Science.

Research output: Contribution to journalArticle

Fouling
Hydration
Salts
Molecules
Bearings (structural)
8 Downloads (Pure)
Open Access
File
Propellers
Fluids
Mass transfer
Irradiation
Catalysts
46 Downloads (Pure)
Open Access
File
Temperature
Pharmaceutical Preparations
Water
Drug Stability
Thermodynamics
2017
6 Citations (Scopus)
188 Downloads (Pure)

An introduction to zwitterionic salts

Blesic, M., Gilmore, B. F., Holbrey, J. D., Jacquemin, J., Level, G., Nockemann, P. & Stella, L., 07 Sep 2017, In : Green Chemistry. 19, 17, p. 4007-4011 5 p.

Research output: Contribution to journalArticle

Open Access
File
Hydrophilicity
Anions
Cations
Negative ions
Salts
4 Citations (Scopus)
161 Downloads (Pure)

Improving the crystallinity and magnetocaloric effect of the perovskite La0.65Sr0.35MnO3 using microwave irradiation

McBride, K., Bennington-Gray, S., Cook, J., Stella, L., Felton, S. & Poulidi, D., Jun 2017, In : CrystEngComm. 19, p. 3776-3791

Research output: Contribution to journalArticle

Open Access
File
Magnetocaloric effects
Microwave irradiation
Perovskite
crystallinity
Microwaves
3 Citations (Scopus)
187 Downloads (Pure)

Mixing Regime Simulation and Cellulose Particle Tracing in a Stacked Frame Photocatalytic Reactor

Nagarajan, S., Stella, L., Lawton, L. A., Irvine, J. T. S. & Robertson, P. K. J., 01 Apr 2017, In : Chemical Engineering Journal. 313, p. 301-308 8 p.

Research output: Contribution to journalArticle

Open Access
File
Cellulose
cellulose
Photocatalysis
simulation
catalyst
151 Downloads (Pure)

Modelling a Bistable System Strongly Coupled to a Debye Bath: A Quasiclassical Approach Based on the Generalised Langevin Equation

Stella, L., Ness, H., Lorenz, C. D. & Kantorovich, L., 01 Jul 2017, In : computational methods in science and technology. 23, 3, p. 251-264 14 p.

Research output: Contribution to journalArticle

Open Access
File
1 Citation (Scopus)
113 Downloads (Pure)

Nonequilibrium generalised Langevin equation for the calculation of heat transport properties in model 1D atomic chains coupled to two 3D thermal baths

Ness, H., Stella, L., Lorenz, C. D. & Kantorovich, L., 28 Apr 2017, In : Journal of Chemical Physics. 146, 16, 164103.

Research output: Contribution to journalArticle

Open Access
File
Transport properties
baths
transport properties
temperature gradients
heat
5 Citations (Scopus)
219 Downloads (Pure)

Synthesis, characterisation and study of magnetocaloric effects (enhanced and reduced) in manganate perovskites.

McBride, K., Partridge, N., Bennington-Gray, S. ., Felton, S., Stella, L. & Poulidi, D., Apr 2017, In : Materials Research Bulletin. 88, p. 69–77 9 p.

Research output: Contribution to journalArticle

Open Access
File
Magnetocaloric effects
perovskites
Doping (additives)
radii
synthesis
2016
5 Citations (Scopus)
256 Downloads (Pure)

c-number quantum generalized Langevin equation for an open system

Kantorovich, L., Ness, H., Stella, L. & Lorenz, C. D., 08 Nov 2016, In : Physical Review B. 94, 18, 15 p., 184305.

Research output: Contribution to journalArticle

Open Access
File
Open systems
quantum numbers
operators
Hamiltonians
nonequilibrium conditions
28 Citations (Scopus)
243 Downloads (Pure)
Open Access
File
induction heating
Magnetic fluids
hyperthermia
magnetic properties
Induction heating
11 Citations (Scopus)
173 Downloads (Pure)

Nonequilibrium processes from generalized Langevin equations: Realistic nanoscale systems connected to two thermal baths

Ness, H., Genina, A., Stella, L., Lorenz, C. D. & Kantorovich, L., 04 May 2016, In : Physical Review B (Condensed Matter). 93, 17, 174303.

Research output: Contribution to journalArticle

Open Access
File
Thermal gradients
baths
Thermostats
temperature gradients
Ballistics
27 Citations (Scopus)
197 Downloads (Pure)

Picosecond metrology of laser-driven proton bursts

Dromey, B., Coughlan, M., Senje, L., Taylor, M., Kuschel, S., Villagomez-Bernabe, B., Stefanuik, R., Nersisyan, G., Stella, L., Kohanoff, J., Borghesi, M., Currell, F., Riley, D., Jung, D., Wahlstrom, C. G., Lewis, C. L. S. & Zepf, M., 10 Feb 2016, In : Nature Communications. 7, 6 p., 10642.

Research output: Contribution to journalArticle

Open Access
File
metrology
Protons
bursts
Lasers
Ions
3 Citations (Scopus)
172 Downloads (Pure)

Projected equations of motion approach to hybrid quantum/classical dynamics in dielectric-metal composites

McMillan, R. J., Stella, L. & Grüning, M., 30 Sep 2016, In : Physical Review B (Condensed Matter). 94, 9 p., 125312.

Research output: Contribution to journalArticle

Open Access
File
Equations of motion
equations of motion
Metals
composite materials
Composite materials
3 Citations (Scopus)
351 Downloads (Pure)
Open Access
File
Marble
Structural members
Granite
Axial loads
Mortar
2015
14 Citations (Scopus)
261 Downloads (Pure)

Applications of the generalized Langevin equation: Towards a realistic description of the baths

Ness, H., Stella, L., Lorenz, C. D. & Kantorovich, L., 05 Jan 2015, In : Physical Review B (Condensed Matter). 91, 15 p., 014301.

Research output: Contribution to journalArticle

Open Access
File
156 Citations (Scopus)
213 Downloads (Pure)

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Andrade, X., Strubbe, D., De Giovannini, U., Larsen, A. H., Oliveira, M. J. T., Alberdi-Rodriguez, J., Varas, A., Theophilou, I., Helbig, N., Verstraete, M. J., Stella, L., Nogueira, F., Aspuru-Guzik, A., Castro, A., Marques, M. A. L. & Rubio, A., 2015, In : Physical Chemistry Chemical Physics . 17, 47, p. 31371-31396 26 p.

Research output: Contribution to journalArticle

Open Access
File
octopuses
Photoemission
grids
Testing
electronics
2014
32 Citations (Scopus)
270 Downloads (Pure)

Generalized Langevin equation: An efficient approach to nonequilibrium molecular dynamics of open systems

Stella, L., Lorenz, C. D. & Kantorovich, L., 07 Apr 2014, In : Physical Review B (Condensed Matter). 89, 17 p., 134303.

Research output: Contribution to journalArticle

Open Access
File
2013
77 Citations (Scopus)

Performance of Nonlocal Optics When Applied to Plasmonic Nanostructures

Stella, L., Zhang, P., García-Vidal, F. J., Rubio, A. & García-González, P., 02 May 2013, In : The Journal of Physical Chemistry C. 117, 17, p. 8941–8949 9 p.

Research output: Contribution to journalArticle

Absorption spectra
Nanostructures
Optics
Hydrodynamics
hydrodynamics
2012
3 Citations (Scopus)

On transition rates in surface hopping

Escartin, J. M., Romaniello, P., Stella, L., Reinhard, P. -G. & Suraud, E., 21 Dec 2012, In : Journal of Chemical Physics. 137, 23, 6 p., 234113.

Research output: Contribution to journalArticle

2011
41 Citations (Scopus)

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

Miranda, R. P., Fisher, A. J., Stella, L. & Horsfield, A. P., 28 Jun 2011, In : Journal of Chemical Physics. 134, 24, p. 1-10 10 p., 244101.

Research output: Contribution to journalArticle

14 Citations (Scopus)

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. II. Coulomb interaction effects in single conjugated polymer chains

Miranda, R. P., Fisher, A. J., Stella, L. & Horsfield, A. P., 28 Jun 2011, In : Journal of Chemical Physics. 134, 24, 13 p., 244102.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Analog of Rabi oscillations in resonant electron-ion systems

Stella, L., Miranda, R. P., Horsfield, A. P. & Fisher, A. J., 21 May 2011, In : Journal of Chemical Physics. 134, 19, p. 1-13 13 p., 194105.

Research output: Contribution to journalArticle

45 Citations (Scopus)

Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study

Stella, L., Attaccalite, C., Sorella, S. & Rubio, A., 15 Dec 2011, In : Physical Review B (Condensed Matter). 84, 24, p. 1-6 6 p., 245117.

Research output: Contribution to journalArticle

2010
19 Citations (Scopus)

Modelling non-adiabatic processes using correlated electron-ion dynamics

McEniry, E. J., Wang, Y., Dundas, D., Todorov, T. N., Stella, L., Miranda, R. P., Fisher, A. J., Horsfield, A. P., Race, C. P., Mason, D. R., Foulkes, W. M. C. & Sutton, A. P., Oct 2010, In : European Physical Journal B. 77, 3, p. 305-329 25 p.

Research output: Contribution to journalArticle

heat transfer
Ions
Electrons
nuclei
ions
2008
11 Citations (Scopus)

Correlated electron-ion dynamics in metallic systems

Horsfield, A. P., Finnis, M., Foulkes, M., LePage, J., Mason, D., Race, C., Sutton, A. P., Bowler, D. R., Fisher, A. J., Miranda, R., Stella, L., Stoneham, A. M., Dundas, D., McEniry, E., Todorov, T. N. & Sanchez, C. G., Nov 2008, In : Computational Materials Science. 44, 1, p. 16-20 5 p.

Research output: Contribution to journalArticle

Heating
Electron
Ions
heating
Electric Current
2007
13 Citations (Scopus)

Quantum annealing of an ising spin-glass by Green's function Monte Carlo

Stella, L. & Santoro, G. E., Mar 2007, In : Physical Review E. 75, 3, 6 p., 036703.

Research output: Contribution to journalArticle

20 Citations (Scopus)

Robust nonadiabatic molecular dynamics for metals and insulators

Stella, L., Meister, M., Fisher, A. J. & Horsfield, A. P., 07 Dec 2007, In : Journal of Chemical Physics. 127, 21, 15 p., 214104.

Research output: Contribution to journalArticle

2006
15 Citations (Scopus)

Monte Carlo studies of quantum and classical annealing on a double well

Stella, L., Santoro, GE. & Tosatti, E., Apr 2006, In : Physical Review B (Condensed Matter). 73, 14, 14 p., 144302.

Research output: Contribution to journalArticle

2005
36 Citations (Scopus)

Optimization by quantum annealing: Lessons from simple cases

Stella, L., Santoro, GE. & Tosatti, E., Jul 2005, In : Physical Review B (Condensed Matter). 72, 1, 15 p., 014303.

Research output: Contribution to journalArticle

2004
6 Citations (Scopus)

Theory of phonon dissipation in the conduction of stressed Au nanowires

Stella, L., Santoro, GE., Fabrizio, M. & Tosatti, E., 20 Sep 2004, In : Surface Science. 566, p. 430-435 6 p.

Research output: Contribution to journalArticle