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Michail Stamatakis, Ph.D. - Publications

Affiliations: 
2009 Rice University, Houston, TX 
Area:
Chemical Engineering
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57 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Réocreux R, Fampiou I, Stamatakis M. The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111) Faraday Discussions. PMID 33646205 DOI: 10.1039/C9Fd00134D  0.325
2020 Réocreux R, Kress PL, Hannagan RT, Çınar V, Stamatakis M, Sykes ECH. Controlling Hydrocarbon (De)Hydrogenation Pathways with Bifunctional PtCu Single-Atom Alloys. The Journal of Physical Chemistry Letters. 8751-8757. PMID 32940467 DOI: 10.1021/Acs.Jpclett.0C02455  0.331
2020 Savva GD, Stamatakis M. Comparison of Queueing Data-Structures for Kinetic Monte Carlo Simulations of Heterogeneous Catalysts. The Journal of Physical Chemistry. A. 124: 7843-7856. PMID 32870681 DOI: 10.1021/Acs.Jpca.0C06871  0.339
2020 Ravipati S, d'Avezac M, Nielsen J, Hetherington J, Stamatakis M. A Caching Scheme to Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions. The Journal of Physical Chemistry. A. PMID 32786994 DOI: 10.1021/Acs.Jpca.0C03571  0.346
2020 Chutia A, Thetford A, Stamatakis M, Catlow CRA. A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface. Physical Chemistry Chemical Physics : Pccp. PMID 31995067 DOI: 10.1039/C9Cp05476F  0.313
2020 Papanikolaou KG, Stamatakis M. On the behaviour of structure-sensitive reactions on single atom and dilute alloy surfaces Catalysis Science & Technology. 10: 5815-5828. DOI: 10.1039/D0Cy00904K  0.352
2019 Apostolopoulou M, Simoes Santos M, Hamza M, Bui T, Economou IG, Stamatakis M, Striolo A. 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. PMID 31603675 DOI: 10.1021/Acs.Jctc.9B00776  0.311
2019 Papanikolaou KG, Darby MT, Stamatakis M. Engineering the Surface Architecture of Highly Dilute Alloys: An ab Initio Monte Carlo Approach Acs Catalysis. 10: 1224-1236. DOI: 10.1021/Acscatal.9B04029  0.319
2019 Chen BWJ, Stamatakis M, Mavrikakis M. Kinetic Isolation between Turnovers on Au18 Nanoclusters: Formic Acid Decomposition One Molecule at a Time Acs Catalysis. 9: 9446-9457. DOI: 10.1021/Acscatal.9B02167  0.358
2019 Darby MT, Lucci FR, Marcinkowski MD, Therrien AJ, Michaelides A, Stamatakis M, Sykes ECH. Carbon Monoxide Mediated Hydrogen Release from PtCu Single-Atom Alloys: The Punctured Molecular Cork Effect The Journal of Physical Chemistry C. 123: 10419-10428. DOI: 10.1021/Acs.Jpcc.9B01213  0.348
2019 Papanikolaou KG, Darby MT, Stamatakis M. CO-Induced Aggregation and Segregation of Highly Dilute Alloys: A Density Functional Theory Study The Journal of Physical Chemistry C. 123: 9128-9138. DOI: 10.1021/Acs.Jpcc.9B00649  0.357
2019 Apostolopoulou M, Dusterhoft R, Day R, Stamatakis M, Coppens M, Striolo A. Estimating permeability in shales and other heterogeneous porous media: Deterministic vs. stochastic investigations International Journal of Coal Geology. 205: 140-154. DOI: 10.1016/J.Coal.2019.02.009  0.313
2018 Darby MT, Sykes ECH, Michaelides A, Stamatakis M. Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys. Topics in Catalysis. 61: 428-438. PMID 31258304 DOI: 10.1007/S11244-017-0882-1  0.348
2018 Papanikolaou KG, Darby MT, Stamatakis M. Adlayer structure and lattice size effects on catalytic rates predicted from KMC simulations: NO oxidation on Pt(111). The Journal of Chemical Physics. 149: 184701. PMID 30441930 DOI: 10.1063/1.5048787  0.393
2018 Darby MT, Stamatakis M, Michaelides A, Sykes ECH. Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys. The Journal of Physical Chemistry Letters. 5636-5646. PMID 30188735 DOI: 10.1021/Acs.Jpclett.8B01888  0.373
2018 Marcinkowski MD, Darby MT, Liu J, Wimble JM, Lucci FR, Lee S, Michaelides A, Flytzani-Stephanopoulos M, Stamatakis M, Sykes ECH. Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C-H activation. Nature Chemistry. 10: 325-332. PMID 29461520 DOI: 10.1038/Nchem.2915  0.307
2018 Pineda M, Stamatakis M. Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics. The Journal of Chemical Physics. 147: 024105. PMID 28711048 DOI: 10.1063/1.4991690  0.356
2018 Pineda M, Stamatakis M. Non-Equilibrium Thermodynamics and Stochastic Dynamics of a Bistable Catalytic Surface Reaction Entropy. 20: 811. DOI: 10.3390/E20110811  0.374
2018 Darby MT, Réocreux R, Sykes ECH, Michaelides A, Stamatakis M. Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts Acs Catalysis. 8: 5038-5050. DOI: 10.1021/Acscatal.8B00881  0.357
2018 Pineda M, Stamatakis M. On the stochastic modelling of surface reactions through reflected chemical Langevin equations Computers & Chemical Engineering. 117: 145-158. DOI: 10.1016/J.Compchemeng.2018.05.003  0.32
2017 Apostolopoulou M, Day R, Hull R, Stamatakis M, Striolo A. A kinetic Monte Carlo approach to study fluid transport in pore networks. The Journal of Chemical Physics. 147: 134703. PMID 28987117 DOI: 10.1063/1.4985885  0.304
2017 Vignola E, Steinmann SN, Vandegehuchte BD, Curulla D, Stamatakis M, Sautet P. A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers. The Journal of Chemical Physics. 147: 054106. PMID 28789555 DOI: 10.1063/1.4985890  0.336
2017 Liu G, Robertson AW, Li MM, Kuo WCH, Darby MT, Muhieddine MH, Lin YC, Suenaga K, Stamatakis M, Warner JH, Tsang SCE. MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction. Nature Chemistry. 9: 810-816. PMID 28754945 DOI: 10.1038/Nchem.2740  0.356
2016 Teixeira IF, Lo BT, Kostetskyy P, Stamatakis M, Ye L, Tang CC, Mpourmpakis G, Tsang SC. From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite. Angewandte Chemie (International Ed. in English). PMID 27490584 DOI: 10.1002/Anie.201604108  0.585
2016 Campbell C, van Santen R, Stamatakis M, Collis N, Freund HJ, Plaisance C, Sauer J, Garrett B, Gross E, Kotarba A, Weckhuysen B, Ueda W, Reece C, Catlow R, Trunschke A, et al. Catalyst design from theory to practice: general discussion. Faraday Discussions. 188: 279-307. PMID 27328172 DOI: 10.1039/C6Fd90016J  0.301
2016 Stamatakis M, Piccinin S. Rationalizing the Relation between Adlayer Structure and Observed Kinetics in Catalysis Acs Catalysis. 6: 2105-2111. DOI: 10.1021/Acscatal.5B02876  0.358
2016 Piccinin S, Stamatakis M. Steady-State CO Oxidation on Pd(111): First-Principles Kinetic Monte Carlo Simulations and Microkinetic Analysis Topics in Catalysis. 60: 141-151. DOI: 10.1007/S11244-016-0725-5  0.336
2016 Teixeira IF, Lo BTW, Kostetskyy P, Stamatakis M, Ye L, Tang CC, Mpourmpakis G, Tsang SCE. Inside Back Cover: From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite (Angew. Chem. Int. Ed. 42/2016) Angewandte Chemie International Edition. 55: 13349-13349. DOI: 10.1002/Anie.201607477  0.551
2016 Teixeira IF, Lo BTW, Kostetskyy P, Stamatakis M, Ye L, Tang CC, Mpourmpakis G, Tsang SCE. Innenrücktitelbild: From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite (Angew. Chem. 42/2016) Angewandte Chemie. 128: 13545-13545. DOI: 10.1002/Ange.201607477  0.549
2015 Stamatakis M. Kinetic modelling of heterogeneous catalytic systems. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 013001. PMID 25393371 DOI: 10.1088/0953-8984/27/1/013001  0.374
2015 Nikbin N, Austin N, Vlachos DG, Stamatakis M, Mpourmpakis G. Catalysis at the sub-nanoscale: Complex CO oxidation chemistry on a few Au atoms Catalysis Science and Technology. 5: 134-141. DOI: 10.1039/C4Cy01295J  0.742
2014 Herrmann S, Stamatakis M, Andriotis AN, Mpourmpakis G. Adsorption behavior of noble metal clusters and their alloys Journal of Computational and Theoretical Nanoscience. 11: 511-520. DOI: 10.1166/Jctn.2014.3387  0.622
2014 Piccinin S, Stamatakis M. CO oxidation on Pd(111): A first-principles-based kinetic monte carlo study Acs Catalysis. 4: 2143-2152. DOI: 10.1021/Cs500377J  0.334
2013 Nielsen J, d'Avezac M, Hetherington J, Stamatakis M. Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions. The Journal of Chemical Physics. 139: 224706. PMID 24329081 DOI: 10.1063/1.4840395  0.394
2013 Guo W, Stamatakis M, Vlachos DG. Design principles of heteroepitaxial bimetallic catalysts Acs Catalysis. 3: 2248-2255. DOI: 10.1021/Cs4005166  0.387
2013 Stamatakis M. Cell population balance and hybrid modeling of population dynamics for a single gene with feedback Computers and Chemical Engineering. 53: 25-34. DOI: 10.1016/J.Compchemeng.2013.02.006  0.324
2012 Stamatakis M, Christiansen MA, Vlachos DG, Mpourmpakis G. Multiscale modeling reveals poisoning mechanisms of MgO-supported Au clusters in CO oxidation. Nano Letters. 12: 3621-6. PMID 22668206 DOI: 10.1021/Nl301318B  0.685
2012 Stamatakis M, Vlachos DG. Unraveling the complexity of catalytic reactions via kinetic monte carlo simulation: Current status and frontiers Acs Catalysis. 2: 2648-2663. DOI: 10.1021/Cs3005709  0.571
2011 Stamatakis M, Vlachos DG. Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast Diffusion. Computers & Chemical Engineering. 35: 2602-2610. PMID 22021942 DOI: 10.1016/J.Compchemeng.2011.05.008  0.535
2011 Stamatakis M, Zygourakis K. Deterministic and stochastic population-level simulations of an artificial lac operon genetic network. Bmc Bioinformatics. 12: 301. PMID 21791088 DOI: 10.1186/1471-2105-12-301  0.601
2011 Stamatakis M, Vlachos DG. A graph-theoretical kinetic Monte Carlo framework for on-lattice chemical kinetics. The Journal of Chemical Physics. 134: 214115. PMID 21663352 DOI: 10.1063/1.3596751  0.527
2011 Stamatakis M, Chen Y, Vlachos DG. First-principles-based kinetic Monte Carlo simulation of the structure sensitivity of the water-gas shift reaction on platinum surfaces Journal of Physical Chemistry C. 115: 24750-24762. DOI: 10.1021/Jp2071869  0.4
2011 Mpourmpakis G, Stamatakis M, Herrmann S, Vlachos DG, Andriotis AN. Predicting the adsorption behavior in bulk from metal clusters Chemical Physics Letters. 518: 99-103. DOI: 10.1016/J.Cplett.2011.11.004  0.615
2011 Salciccioli M, Stamatakis M, Caratzoulas S, Vlachos DG. A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior Chemical Engineering Science. 66: 4319-4355. DOI: 10.1016/J.Ces.2011.05.050  0.757
2011 Salciccioli M, Stamatakis M, Caratzoulas S, Vlachos DG. ChemInform Abstract: Multiscale Modeling of Metal-Catalyzed Reactions: Mechanism Development for Complexity and Emergent Behavior Cheminform. 42: no-no. DOI: 10.1002/CHIN.201147274  0.739
2010 Wang H, Stamatakis M, Hansgen DA, Caratzoulas S, Vlachos DG. Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments. The Journal of Chemical Physics. 133: 224503. PMID 21171687 DOI: 10.1063/1.3512644  0.517
2010 Stamatakis M, Mantzaris NV. Intrinsic noise and division cycle effects on an abstract biological oscillator. Chaos (Woodbury, N.Y.). 20: 033118. PMID 20887058 DOI: 10.1063/1.3484868  0.655
2010 Stamatakis M, Zygourakis K. A mathematical and computational approach for integrating the major sources of cell population heterogeneity. Journal of Theoretical Biology. 266: 41-61. PMID 20685607 DOI: 10.1016/J.Jtbi.2010.06.002  0.608
2010 Collins S, Stamatakis M, Vlachos DG. Adaptive coarse-grained Monte Carlo simulation of reaction and diffusion dynamics in heterogeneous plasma membranes. Bmc Bioinformatics. 11: 218. PMID 20429923 DOI: 10.1186/1471-2105-11-218  0.515
2010 Stamatakis M. Cell population balance, ensemble and continuum modeling frameworks: Conditional equivalence and hybrid approaches Chemical Engineering Science. 65: 1008-1015. DOI: 10.1016/J.Ces.2009.09.054  0.336
2009 Stamatakis M, Mantzaris NV. Comparison of deterministic and stochastic models of the lac operon genetic network. Biophysical Journal. 96: 887-906. PMID 19186128 DOI: 10.1016/J.Bpj.2008.10.028  0.683
2009 Stamatakis M, Mantzaris NV. Comparison of deterministic and stochastic models of the lac operon genetic network (Biophysical Journal) (2009), 96, (887-906)) Biophysical Journal. 97: 2651. DOI: 10.1016/j.bpj.2009.10.001  0.616
2007 Stamatakis M, Mantzaris NV. Astrocyte signaling in the presence of spatial inhomogeneities. Chaos (Woodbury, N.Y.). 17: 033123. PMID 17903005 DOI: 10.1063/1.2767409  0.662
2006 Stamatakis M, Mantzaris NV. Modeling of ATP-mediated signal transduction and wave propagation in astrocytic cellular networks. Journal of Theoretical Biology. 241: 649-68. PMID 16460762 DOI: 10.1016/J.Jtbi.2006.01.002  0.654
2005 Stamatakis M, Mantzaris NV. Stochastic simulations of cell population dynamics Aiche Annual Meeting, Conference Proceedings. 8994.  0.605
2005 Stamatakis M, Mantzaris NV. Astrocyte signaling in the presence of spatial inhomogeneities Aiche Annual Meeting, Conference Proceedings. 6233.  0.651
2005 Stamatakis M, Contou-Carrere P, Mantzaris NV. Wave propagation patterns in 2d astrocytic networks Aiche Annual Meeting, Conference Proceedings. 7199.  0.632
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