검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
A Universal Machine Learning Algorithm for Large-Scale Screening of Materials Fanourgakis GS, Gkagkas K, Tylianakis E, Froudakis GE Journal of the American Chemical Society, 142(8), 3814, 2020 |
| 2 |
Concepts for improving hydrogen storage in nanoporous materials Broom DP, Webb CJ, Fanourgakis GS, Froudakis GE, Trikalitis PN, Hirscher M International Journal of Hydrogen Energy, 44(15), 7768, 2019 |
| 3 |
A Robust Machine Learning Algorithm for the Prediction of Methane Adsorption in Nanoporous Materials Fanourgakis GS, Gkagkas K, Tylianakis E, Klontzas E, Froudakis G Journal of Physical Chemistry A, 123(28), 6080, 2019 |
| 4 |
An Extension of Wolf's Method for the Treatment of Electrostatic Interactions: Application to Liquid Water and Aqueous Solutions Fanourgakis GS Journal of Physical Chemistry B, 119(5), 1974, 2015 |
| 5 |
Determining the Bulk Viscosity of Rigid Water Models Fanourgakis GS, Medina JS, Prosmiti R Journal of Physical Chemistry A, 116(10), 2564, 2012 |
| 6 |
Photodissociation spectroscopy and ab initio calculations for the Sr+-N-2 complex Massaouti M, Fanourgakis GS, Velegrakis M Chemical Physics Letters, 490(4-6), 138, 2010 |
| 7 |
Identifying the most stable networks in polyhedral water clusters Kirov MV, Fanourgakis GS, Xantheas SS Chemical Physics Letters, 461(4-6), 180, 2008 |
| 8 |
The flexible, polarizable, thole-type interaction potential for water (TTM2-F) revisited Fanourgakis GS, Xantheas SS Journal of Physical Chemistry A, 110(11), 4100, 2006 |
| 9 |
High-level ab initio calculations for the four low-lying families of minima of (H2O)(20). I. Estimates of MP2/CBS binding energies and comparison with empirical potentials Fanourgakis GS, Apra E, Xantheas SS Journal of Chemical Physics, 121(6), 2655, 2004 |
| 10 |
A spectroscopic and computer simulation study of butanol vapors Fanourgakis GS, Shi YJ, Consta S, Lipson RH Journal of Chemical Physics, 119(13), 6597, 2003 |