Parents

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Marc D. Donohue grad student 1993 Johns Hopkins
 (Molecular thermodynamics of associating systems: Theory and experiment)

Children

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Othonas A. Moultos post-doc 2013-2016 (Neurotree)
Luís Fernando Mercier Franco post-doc 2016-2017

Collaborators

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Alexey I. Victorov collaborator 2006-2009
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Publications

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Dawass N, Vasileiadis M, Peristeras LD, et al. (2023) Prediction of Adsorption and Diffusion of Shale Gas in Composite Pores Consisting of Kaolinite and Kerogen using Molecular Simulation. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 127: 9452-9462
Cortés Morales AD, Diamantonis N, Economou IG, et al. (2023) Molecular Modeling of Double Retrograde Vaporization Using Monte Carlo Simulations and Equations of State. The Journal of Physical Chemistry. B. 127: 3672-3681
Maginn EJ, Economou IG, Snurr RQ, et al. (2023) Tribute to Doros N. Theodorou. The Journal of Physical Chemistry. B. 127: 2639-2642
Dawass N, Krüger P, Schnell SK, et al. (2020) Kirkwood-Buff Integrals Using Molecular Simulation: Estimation of Surface Effects. Nanomaterials (Basel, Switzerland). 10
Apostolopoulou M, Simoes Santos M, Hamza M, et al. (2019) Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
Papavasileiou KD, Peristeras LD, Bick A, et al. (2019) Molecular Dynamics Simulation of Pure n-Alkanes and Their Mixtures at Elevated Temperatures Using Atomistic and Coarse-Grained Force Fields. The Journal of Physical Chemistry. B
Tsimpanogiannis IN, Michalis VK, Economou IG. (2019) Enthalpy of dissociation of methane hydrates at a wide pressure and temperature range Fluid Phase Equilibria. 489: 30-40
Tsimpanogiannis IN, Moultos OA, Franco LFM, et al. (2018) Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies Molecular Simulation. 45: 425-453
Tsimpanogiannis IN, Costandy J, Kastanidis P, et al. (2018) Using clathrate hydrates for gas storage and gas-mixture separations: experimental and computational studies at multiple length scales Molecular Physics. 116: 2041-2060
Rahbari A, Hens R, Nikolaidis IK, et al. (2018) Computation of partial molar properties using continuous fractional component Monte Carlo Molecular Physics. 116: 3331-3344
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