1. Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study. (27th January 2021) Authors: Sunnardianto, Gagus Ketut; Bokas, George; Hussein, Abdelrahman; Walters, Carey; Moultos, Othonas A.; Dey, Poulumi Journal: International journal of hydrogen energy Issue: Volume 46:Number 7(2021) Page Start: 5485 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far. Issue 10 (24th July 2021) Authors: Celebi, Alper T.; Jamali, Seyed Hossein; Bardow, André; Vlugt, Thijs J. H.; Moultos, Othonas A. Journal: Molecular simulation Issue: Volume 47:Issue 10/11(2021) Page Start: 831 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state. Issue 2 (19th November 2018) Authors: Nikolaidis, Ilias K.; Poursaeidesfahani, Ali; Csaszar, Zsolt; Ramdin, Mahinder; Vlugt, Thijs J. H.; Economou, Ioannis G.; Moultos, Othonas A. Journal: AIChE journal Issue: Volume 65:Issue 2(2019) Page Start: 792 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. On the validity of the Stokes–Einstein relation for various water force fields. (1st June 2020) Authors: Tsimpanogiannis, Ioannis N.; Jamali, Seyed Hossein; Economou, Ioannis G.; Vlugt, Thijs J. H.; Moultos, Othonas A. Journal: Molecular physics Issue: Volume 118:Number 9/10(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. On the validity of the Stokes–Einstein relation for various water force fields. (1st June 2020) Authors: Tsimpanogiannis, Ioannis N.; Jamali, Seyed Hossein; Economou, Ioannis G.; Vlugt, Thijs J. H.; Moultos, Othonas A. Journal: Molecular physics Issue: Volume 118:Number 9/10(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies. Issue 4 (24th March 2019) Authors: Tsimpanogiannis, Ioannis N.; Moultos, Othonas A.; Franco, Luís F. M.; Spera, Marcelle B. de M.; Erdős, Máté; Economou, Ioannis G. Journal: Molecular simulation Issue: Volume 45:Issue 4/5(2019) Page Start: 425 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Self-diffusion coefficients of the binary (H2O + CO2) mixture at high temperatures and pressures. (February 2016) Authors: Moultos, Othonas A.; Tsimpanogiannis, Ioannis N.; Panagiotopoulos, Athanassios Z.; Economou, Ioannis G. Journal: Journal of chemical thermodynamics Issue: Volume 93(2016:Feb.) Page Start: 424 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Self-diffusion coefficients of the binary (H2O + CO2) mixture at high temperatures and pressures. (February 2016) Authors: Moultos, Othonas A.; Tsimpanogiannis, Ioannis N.; Panagiotopoulos, Athanassios Z.; Economou, Ioannis G. Journal: Journal of chemical thermodynamics Issue: Volume 93(2016:Feb.) Page Start: 424 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The effect of hydrogen content and yield strength on the distribution of hydrogen in steel: a diffusion coupled micromechanical FEM study. (1st May 2021) Authors: Hussein, Abdelrahman; Krom, Alfons H.M.; Dey, Poulumi; Sunnardianto, Gagus K.; Moultos, Othonas A.; Walters, Carey L. Journal: Acta materialia Issue: Volume 209(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Thermal conductivity of aqueous solutions of reline, ethaline, and glyceline deep eutectic solvents; a molecular dynamics simulation study. (18th October 2021) Authors: Celebi, Alper T.; Vlugt, Thijs J. H.; Moultos, Othonas A. Journal: Molecular physics Issue: Volume 119:Number 19/20(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗