Dionisios G. Vlachos

发表

Coarse-grained stochastic processes and Monte Carlo simulations in lattice systems

Andrew J. Majda, Markos A. Katsoulakis, Dionisios G. Vlachos, 2003 .

Monte Carlo algorithms for complex surface reaction mechanisms: efficiency and accuracy

Dionisios G. Vlachos, J. S. Reese, S. Raimondeau, 2001 .

The roles of catalysis and reaction engineering in overcoming the energy and the environment crisis

Dionisios G. Vlachos, Stavros Caratzoulas, D. Vlachos, 2010 .

Plastics from Renewable Sources

Dionisios G. Vlachos, 2012 .

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Dionisios G. Vlachos, Yifan Wang, Tai-Ying Chen, 2021, J. Chem. Inf. Model..

Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator

Dionisios G. Vlachos, Udit Gupta, D. Vlachos, 2021, J. Chem. Inf. Model..

Chemical Kinetics Bayesian Inference Toolbox (CKBIT)

Dionisios G. Vlachos, Maximilian Cohen, D. Vlachos, 2021, Comput. Phys. Commun..

Process Systems Engineering Perspective on the Design of Materials and Molecules

Claire S. Adjiman, Nikolaos V. Sahinidis, Christos T. Maravelias, 2021, Industrial & Engineering Chemistry Research.

Dataset for Chemical Kinetics Bayesian Inference Toolbox (CKBIT)

Dionisios G. Vlachos, Maximilian Cohen, 2021 .

Spectral methods for mesoscopic models of pattern formation

Markos A. Katsoulakis, Dionisios G. Vlachos, David J. Horntrop, 2001 .

Microkinetic modeling of spatially resolved autothermal CH4 catalytic partial oxidation experiments over Rh-coated foams

Pio Forzatti, Matteo Maestri, Dionisios G. Vlachos, 2010 .

Thermal Management in Catalytic Microreactors

Eric D. Wetzel, Dionisios G. Vlachos, D. G. Norton, 2006 .

First-Principles-Based Kinetic Monte Carlo Simulation of the Structure Sensitivity of the Water–Gas Shift Reaction on Platinum Surfaces

Michail Stamatakis, Dionisios G. Vlachos, M. Stamatakis, 2011 .

Multiscale modeling for emergent behavior, complexity, and combinatorial explosion

Dionisios G. Vlachos, D. Vlachos, 2012 .

Stochastic kinetic analysis of transcriptional feedback models for circadian rhythms

Francis J. Doyle, James S. Schwaber, Dionisios G. Vlachos, 2001, Proceedings of the 40th IEEE Conference on Decision and Control (Cat. No.01CH37228).

Portable power production from methanol in an integrated thermoeletric/microreactor system

Dionisios G. Vlachos, Ayman M. Karim, D. Vlachos, 2008 .

Novel micromixers driven by flow instabilities: Application to post‐reactors

Dionisios G. Vlachos, S. R. Deshmukh, D. Vlachos, 2005 .

Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers

Michail Stamatakis, Dionisios G. Vlachos, M. Stamatakis, 2012 .

Molecular Modeling for Non-Equilibrium Chemical Processes

Dionisios G. Vlachos, 2005 .

Front propagation at low temperatures and multiscale modeling for the catalytic combustion of H2 on Pt

Dionisios G. Vlachos, S. Raimondeau, 2003 .

A C1 microkinetic model for methane conversion to syngas on Rh/Al2O3

Matteo Maestri, Dionisios G. Vlachos, Enrico Tronconi, 2009 .

Numerical Assessment of Theoretical Error Estimates in Coarse-Grained Kinetic Monte Carlo Simulations: Application to Surface Diffusion

Abhijit Chatterjee, Markos A. Katsoulakis, Dionisios G. Vlachos, 2005 .

Modeling of zeolite L crystallization using continuum time Monte Carlo simulations

Vladimiros Nikolakis, Michael Tsapatsis, Dionisios G. Vlachos, 1999 .

Recent developments on multiscale, hierarchical modeling of chemical reactors

Dionisios G. Vlachos, S. Raimondeau, D. Vlachos, 2002 .

Millisecond Production of Hydrogen from Alternative, High Hydrogen Density Fuels in a Cocurrent Multifunctional Microreactor

Niket S. Kaisare, Dionisios G. Vlachos, Georgios D. Stefanidis, 2009 .

Effect of multiscale model uncertainty on identification of optimal catalyst properties

Zachary W. Ulissi, Vinay Prasad, Dionisios G. Vlachos, 2011 .

Alcohol Adsorption onto Silicalite from Aqueous Solution

Stanley I. Sandler, Dionisios G. Vlachos, Ruichang Xiong, 2011 .

Fabrication of Single-Channel Catalytic Microburners: Effect of Confinement on the Oxidation of Hydrogen/Air Mixtures

Dionisios G. Vlachos, D. G. Norton, D. Vlachos, 2004 .

Homogeneous ignition of hydrogen-air mixtures over platinum

Phillip R. Westmoreland, Dionisios G. Vlachos, P. R. Westmoreland, 1996 .

A new approach to response surface development for detailed gas‐phase and surface reaction kinetic model optimization

Hai Wang, Dionisios G. Vlachos, Scott Davis, 2003 .

Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte

Dionisios G. Vlachos, Zhongbin Zhuang, Stavros Caratzoulas, 2016, Nature Communications.

A GENERALIZED APPROACH FOR PREDICTING COVERAGE-DEPENDENT REACTION PARAMETERS OF COMPLEX SURFACE REACTIONS : APPLICATION TO H2 OXIDATION OVER PLATINUM

Young K. Park, Preeti Aghalayam, Dionisios G. Vlachos, 1999 .

Multiscale Model and Informatics-Based Optimal Design of Experiments : Application to the Catalytic Decomposition of Ammonia on Ruthenium

Vinay Prasad, Dionisios G. Vlachos, 2008 .

Spatial and temporal patterns in catalytic oscillations

Rutherford Aris, Ferdi Schüth, Dionisios G. Vlachos, 1992 .

Microkinetic Modeling for Water-Promoted CO Oxidation, Water−Gas Shift, and Preferential Oxidation of CO on Pt

Dionisios G. Vlachos, A. B. Mhadeshwar, D. Vlachos, 2004 .

Systems tasks in nanotechnology via hierarchical multiscale modeling : Nanopattern formation in heteroepitaxy

Abhijit Chatterjee, Dionisios G. Vlachos, 2007 .

Intensification of steam reforming of natural gas: Choosing combustible fuel and reforming catalyst

Dionisios G. Vlachos, Georgios D. Stefanidis, D. Vlachos, 2010 .

Construction and optimization of complex surface‐reaction mechanisms

Young K. Park, Preeti Aghalayam, Dionisios G. Vlachos, 2000 .

Design and Fabrication of a High-Throughput Microreactor and Its Evaluation for Highly Exothermic Reactions

Dionisios G. Vlachos, D. Vlachos, I. Lee, 2012 .

Thermodynamic consistency in microkinetic development of surface reaction mechanisms

Hai Wang, Dionisios G. Vlachos, A. B. Mhadeshwar, 2003 .

Millisecond methane steam reforming via process and catalyst intensification

Dionisios G. Vlachos, Georgios D. Stefanidis, D. Vlachos, 2008 .

Methane steam reforming at microscales: Operation strategies for variable power output at millisecond contact times

Niket S. Kaisare, Matteo Maestri, Dionisios G. Vlachos, 2009 .

Temporal acceleration of spatially distributed kinetic Monte Carlo simulations

Abhijit Chatterjee, Dionisios G. Vlachos, D. Vlachos, 2006 .

Unraveling the Complexity of Catalytic Reactions via Kinetic Monte Carlo Simulation: Current Status and Frontiers

Michail Stamatakis, Dionisios G. Vlachos, M. Stamatakis, 2012 .

First Principles Modeling of Dissociative Adsorption at Crystal Surfaces: Hydrogen on Pt(111)

Dionisios G. Vlachos, D. Vlachos, Jeffery Ludwig, 2004 .

Kinetically driven instabilities and selectivities in methane oxidation

Young K. Park, Dionisios G. Vlachos, D. Vlachos, 1997 .

CFD Simulations of Coupled, Countercurrent Combustor/Reformer Microdevices for Hydrogen Production

Dionisios G. Vlachos, S. R. Deshmukh, D. Vlachos, 2005 .

Bridging the gap of multiple scales: From microscopic, to mesoscopic, to macroscopic models

Markos A. Katsoulakis, Preeti Aghalayam, Dionisios G. Vlachos, 2001 .

The Role of Adsorbate–Adsorbate Interactions in the Rate Controlling Step and the Most Abundant Reaction Intermediate of NH3 Decomposition on Ru

John R. Kitchin, Dionisios G. Vlachos, A. B. Mhadeshwar, 2004 .

Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111)

Philippe Sautet, Geun Ho Gu, Dionisios G. Vlachos, 2017 .

From Density Functional Theory to Microchemical Device Homogenization: Model Prediction of Hydrogen Production For Portable Fuel Cells

Dionisios G. Vlachos, S. R. Deshmukh, and A. B. Mhadeshwar, 2004 .

Building large microkinetic models with first-principles׳ accuracy at reduced computational cost

Dionisios G. Vlachos, Jonathan E. Sutton, D. Vlachos, 2015 .

Group Additivity for Thermochemical Property Estimation of Lignin Monomers on Pt(111)

Geun Ho Gu, Dionisios G. Vlachos, D. Vlachos, 2016 .

Coarse-grained kinetic Monte Carlo models: Complex lattices, multicomponent systems, and homogenization at the stochastic level.

Abhijit Chatterjee, Dionisios G. Vlachos, D. Vlachos, 2008, The Journal of chemical physics.

Hierarchical, multiscale surface reaction mechanism development: CO and H2 oxidation, water–gas shift, and preferential oxidation of CO on Rh

Dionisios G. Vlachos, A. B. Mhadeshwar, D. Vlachos, 2005 .

The role of macroscopic transport phenomena in film microstructure during epitaxial growth

Dionisios G. Vlachos, D. Vlachos, 1999 .

Dominant Reaction Pathways in the Catalytic Partial Oxidation of CH4 on Rh

Pio Forzatti, Matteo Maestri, Dionisios G. Vlachos, 2009 .

Multiscale model for epitaxial growth of films: Growth mode transition

Dionisios G. Vlachos, R. Lam, 2001 .

Assessment of Overall Rate Expressions and Multiscale, Microkinetic Model Uniqueness via Experimental Data Injection: Ammonia Decomposition on Ru/γ-Al2O3 for Hydrogen Production

Vinay Prasad, Dionisios G. Vlachos, Ayman M. Karim, 2009 .

Rational, Hierarchical Parameterization of Complex Zeolite-guest Molecular Models

Dionisios G. Vlachos, Mark Snyder, D. Vlachos, 2004 .

Low-Dimensional Approximations of Multiscale Epitaxial Growth Models for Microstructure Control of Materials

Dionisios G. Vlachos, S. Raimondeau, D. Vlachos, 2000 .

Downsizing chemical processes for portable hydrogen production

Dionisios G. Vlachos, S. R. Deshmukh, E. D. Wetzel, 2005 .

Hydrogen assisted self-ignition of propane/air mixtures in catalytic microburners

Dionisios G. Vlachos, D. G. Norton, D. Vlachos, 2005 .

Steam and dry reforming of methane on Rh : Microkinetic analysis and hierarchy of kinetic models

Matteo Maestri, Dionisios G. Vlachos, Enrico Tronconi, 2008 .

Modeling Silica Nanoparticle Dissolution in TPAOH−TEOS−H2O Solutions

John L. Provis, Dionisios G. Vlachos, John D. Gehman, 2008 .

Operation regimes in catalytic combustion: H2/air mixtures near Pt

Young K. Park, Dionisios G. Vlachos, D. Vlachos, 1998 .

A Complete Pressure-Temperature Diagram for Air Oxidation of Hydrogen in a Continuous-Flow Stirred Tank Reactor

Dionisios G. Vlachos, Robert J. Olsen, 1999 .

Mesoscopic modeling of transport and reaction in microporous crystalline membranes

Markos A. Katsoulakis, Dionisios G. Vlachos, Mark Snyder, 2003 .

High vs. low temperature reforming for hydrogen production via microtechnology

Dionisios G. Vlachos, Georgios D. Stefanidis, D. Vlachos, 2009 .

Coupled Stochastic Spatial and Non-Spatial Simulations of ErbB1 Signaling Pathways Demonstrate the Importance of Spatial Organization in Signal Transduction

Jeremy S. Edwards, Bridget S. Wilson, Dionisios G. Vlachos, 2009, PloS one.

Revealing pyrolysis chemistry for biofuels production: Conversion of cellulose to furans and small oxygenates

Paul J. Dauenhauer, Dionisios G. Vlachos, Alex D. Paulsen, 2012 .

Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles

Markos A. Katsoulakis, Dionisios G. Vlachos, D. Vlachos, 2003 .

Multiscale hybrid modeling of film deposition within porous substrates

Michael Tsapatsis, M. Gummalla, Dionisios G. Vlachos, 2004 .

Two-dimensional detailed modeling of fuel-rich H2 combustion over Rh/Al2O3 catalyst

Tiziano Faravelli, Matteo Maestri, Dionisios G. Vlachos, 2008 .

Controlling Homogeneous Chemistry in Homogeneous—Heterogeneous Reactors: Application to Propane Combustion

Dionisios G. Vlachos, Georgios D. Stefanidis, D. Vlachos, 2009 .

Microreactor Modeling for Hydrogen Production from Ammonia Decomposition on Ruthenium

Dionisios G. Vlachos, S. R. Deshmukh, D. Vlachos, 2004 .

Homogeneous-heterogeneous oxidation reactions over platinum and inert surfaces

Dionisios G. Vlachos, D. Vlachos, 1996 .

Single channel and heat recirculation catalytic microburners: An experimental and computational fluid dynamics study

Eric D. Wetzel, Dionisios G. Vlachos, D. Vlachos, 2009 .

Is the water–gas shift reaction on Pt simple?: Computer-aided microkinetic model reduction, lumped rate expression, and rate-determining step

Dionisios G. Vlachos, A. B. Mhadeshwar, D. Vlachos, 2005 .

Effect of dilution on catalytic oxidation : model validation through experiments and predictions of operation regimes

Dionisios G. Vlachos, Y. K. Park, N. E. Fernandes, 1999 .

Zeolite Growth by Addition of Subcolloidal Particles: Modeling and Experimental Validation

Vladimiros Nikolakis, Michael Tsapatsis, Matthew Tirrell, 2000 .

Microkinetic Modeling and Reduced Rate Expressions of Ethylene Hydrogenation and Ethane Hydrogenolysis on Platinum

Dionisios G. Vlachos, D. Vlachos, M. Salciccioli, 2011 .

Scale-out of Microreactor Stacks for Portable and Distributed Processing: Coupling of Exothermic and Endothermic Processes for Syngas Production

Dionisios G. Vlachos, Georgios D. Stefanidis, D. Vlachos, 2010 .