Dionisios G. Vlachos
Orcid: 0000-0002-6795-8403
According to our database1,
Dionisios G. Vlachos
authored at least 31 papers
between 1997 and 2025.
Collaborative distances:
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Bibliography
2025
A Python tool for parameter estimation of "black box" macro- and micro-kinetic models with Bayesian optimization - petBOA.
Comput. Phys. Commun., 2025
2024
Process integration and systems optimization for the hydrodeoxygenation of 5-hydroxymethylfurfural to dimethylfuran.
Comput. Chem. Eng., 2024
2023
J. Open Source Softw., November, 2023
Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software.
Comput. Phys. Commun., September, 2023
CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis.
J. Chem. Inf. Model., July, 2023
OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions.
J. Chem. Inf. Model., June, 2023
<i>AIMSim</i>: An accessible cheminformatics platform for similarity operations on chemicals datasets.
Comput. Phys. Commun., 2023
2022
Exploring Structure-Sensitive Relations for Small Species Adsorption Using Machine Learning.
J. Chem. Inf. Model., 2022
Unleashing the Power of Knowledge Extraction from Scientific Literature in Catalysis.
J. Chem. Inf. Model., 2022
J. Cheminformatics, 2022
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties.
Comput. Phys. Commun., 2022
2021
NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering.
J. Chem. Inf. Model., 2021
Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator.
J. Chem. Inf. Model., 2021
2020
Reaction Network Viewer (ReNView): An open-source framework for reaction path visualization of chemical reaction systems.
SoftwareX, 2020
J. Chem. Inf. Model., 2020
A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation.
Comput. Phys. Commun., 2020
2014
A robust and efficient triangulation-based optimization algorithm for stochastic black-box systems.
Comput. Chem. Eng., 2014
2013
Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.
BMC Bioinform., 2013
2012
Efficient gradient estimation using finite differencing and likelihood ratios for kinetic Monte Carlo simulations.
J. Comput. Phys., 2012
Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems.
J. Comput. Phys., 2012
2011
J. Comput. Phys., 2011
Equivalence of on-lattice stochastic chemical kinetics with the well-mixed chemical master equation in the limit of fast diffusion.
Comput. Chem. Eng., 2011
2010
Adaptive coarse-grained Monte Carlo simulation of reaction and diffusion dynamics in heterogeneous plasma membranes.
BMC Bioinform., 2010
Proceedings of the 24th IEEE International Symposium on Parallel and Distributed Processing, 2010
2007
A hybrid multiscale Monte Carlo algorithm (HyMSMC) to cope with disparity in time scales and species populations in intracellular networks.
BMC Bioinform., 2007
2006
Hierarchical multiscale model-based design of experiments, catalysts, and reactors for fuel processing.
Comput. Chem. Eng., 2006
2005
Net-event kinetic Monte Carlo for overcoming stiffness in spatially homogeneous and distributed systems.
Comput. Chem. Eng., 2005
Time accelerated Monte Carlo simulations of biological networks using the binomial r-leap method.
Bioinform., 2005
2001
Stochastic kinetic analysis of transcriptional feedback models for circadian rhythms.
Proceedings of the 40th IEEE Conference on Decision and Control, 2001
1997
Growth of Nanophase Clusters and Potential Energy Minima: Hysteresis, Oscillations, and Phase Transitions.
J. Glob. Optim., 1997