Thermotransport in binary system: case study on Ni50Al50 melt

- Evteev, Alexander V., Levchenko, Elena V., Belova, Irina V., Kozubski, Rafal, Liu, Zi-Kui, Murch, Graeme E.

Molecular dynamics simulation of the alloying reaction in Al-coated Ni nanoparticle

- Levchenko, Elena V., Evteev, Alexander V., Riley, Daniel P., Belova, Irina V., Murch, Graeme E.

Molecular dynamics determination of the time-temperature-transformation diagram for crystallization of an undercooled liquid Ni₅₀Al₅₀ alloy

- Levchenko, Elena V., Evteev, Alexander V., Belova, Irina V., Murch, Graeme E.

Molecular dynamics approaches to the design and synthesis of PCB targeting molecularly imprinted polymers: interference to monomer-template interactions in imprinting of 1,2,3-trichlorobenzene

- Cleland, Dougal, Olsson, Gustaf D., Karlsson, Björn C. G., Nicholls, Ian A., McCluskey, Adam

Two-fluid nature of phonon heat conduction in a monatomic lattice

- Evteev, Alexander V., Levchenko, Elena V., Belova, Irina V., Murch, Graeme E.

Phonon-mediated heat dissipation in a monatomic lattice: case study on Ni

- Levchenko, Elena V., Evteev, Alexander V., Momenzadeh, Leila, Belova, Irina V., Murch, Graeme E.

Assessment of the density functional tight binding method for protic ionic liquids

- Addicoat, Matthew A., Stefanovic, Ryan, Webber, Grant B., Atkin, Rob, Page, Alister J.

Molecular dynamics study of density, surface energy and self-diffusion in a liquid Ni₅₀Al₅₀ alloy

- Levchenko, Elena V., Evteev, Alexander V., Belova, Irina V., Murch, Graeme E.

Insight into lattice thermal impedance via equilibrium molecular dynamics: case study on Al

- Evteev, Alexander V., Levchenko, Elena V., Momenzadeh, Leila, Belova, Irina V., Murch, Graeme E.

Molecular dynamics simulation of surface segregation in a (110) B2-NiAl thin film

- Levchenko, Elena V., Evteev, Alexander V., Kozubski, Rafal, Belova, Irina V., Murch, Graeme E.

Cluster model of the structural organization of amorphous iron

- Levchenko, E. V., Evteev, A. V., Vakhmin, S. Yu, Kosilov, A. T., Pryadil'Shchikov, A. Yu

Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni₅₀Al₅₀ alloy

- Levchenko, Elena V., Evteev, Alexander V., Beck, Daniel R., Belova, Irina V., Murch, Graeme E.

Molecular dynamics prediction of phonon-mediated thermal conductivity of f.c.c. Cu

- Evteev, Alexander V., Momenzadeh, Leila, Levchenko, Elena V., Belova, Irina V., Murch, Graeme E.

Decomposition model for phonon thermal conductivity of a monatomic lattice

- Evteev, Alexander V., Momenzadeh, Leila, Levchenko, Elena V., Belova, Irina V., Murch, Graeme E.

Molecular dynamics simulation of surface segregation, diffusion and reaction phenomena in equiatomic Ni-Al systems

- Evteev, A. V., Levchenko, E. V., Belova, I. V., Murch, G. E.

Atomistic modeling of diffusion in the TiAl compound

- Mishin, Y., Belova, Irina Veniaminovna, Murch, Graeme Elliot

Molecular dynamics simulation of alloying in an Al-coated Ti nanoparticle

- Levchenko, Elena V., Evteev, Alexander V., Lorscheider, Tanja, Belova, Irina V., Murch, Graeme E.

Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review

- Page, A. J., Ding, F., Irle, S., Morokuma, K.

Acene-based organic semiconductors for organic light-emitting diodes and perovskite solar cells

- Pham, Hong Duc, Hu, Hongwei, Wong, Fu-Lung, Lee, Chun-Sing, Chen, Wen-Cheng, Feron, Krishna, Manzhos, Sergei, Wang, Hongxia, Motta, Nunzio, Lam, Yeng Ming, Sonar, Prashant

Influence of the interatomic potential on thermotransport in binary liquid alloys: case study on NiAl

- Levchenko, Elena V., Evteev, Alexander V., Ahmed, Tanvir, Kromik, Andreas, Kozubski, Rafal, Belova, Irina V., Liu, Zi-Kui, Murch, Graeme E.