C. Adjiman

发表

Global optimization of mixed‐integer nonlinear problems

C. Adjiman, I. Androulakis, C. Floudas, 2000 .

Computer-aided molecular design of solvents for accelerated reaction kinetics.

C. Adjiman, H. Struebing, Zara Ganase, 2013, Nature chemistry.

A global optimization method, αBB, for general twice-differentiable constrained NLPs — I. Theoretical advances

A. Neumaier, C. Adjiman, C. Floudas, 1998 .

A global optimization method, αBB, for general twice-differentiable constrained NLPs—II. Implementation and computational results

C. Adjiman, I. Androulakis, C. Floudas, 1998 .

A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach

C. Adjiman, A. Galindo, J. Burger, 2015 .

Global optimization for clusters of flexible molecules—solvent–solute interaction energy calculations

C. Adjiman, A. Cheung, P. Kolář, 2002 .

A spatially explicit whole-system model of the lignocellulosic bioethanol supply chain: an assessment of decentralised processing potential

C. Adjiman, N. Shah, A. Dunnett, 2008, Biotechnology for biofuels.

A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space

Frances E. Pereira, C. Adjiman, A. Galindo, 2010 .

Robust algorithms for the calculation of phase equilibrium

Frances E. Pereira, C. Adjiman, A. Galindo, 2010 .

Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures

Claire S. Adjiman, George Jackson, Amparo Galindo, 2009 .

Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2017 .

The development of unlike induced association-site models to study the phase behaviour of aqueous mixtures comprising acetone, alkanes and alkyl carboxylic acids with the SAFT-g Mie group contribution methodology

C. Adjiman, A. Galindo, G. Jackson, 2016 .

Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-γ SW group contribution approach

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2016 .

Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry

Claire S. Adjiman, George Jackson, Amparo Galindo, 2016 .

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments.

George Jackson, Amparo Galindo, Vasileios Papaioannou, 2014, The Journal of chemical physics.

Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State

Claire S. Adjiman, George Jackson, Amparo Galindo, 2014 .

Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach

G. Jackson, C. Adjiman, A. Galindo, 2012 .

Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation

Claire S. Adjiman, Andrew J. Haslam, George Jackson, 2011 .

Simultaneous prediction of vapour-liquid and liquid-liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach

Claire S. Adjiman, George Jackson, Amparo Galindo, 2011 .

Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams

Claire S. Adjiman, George Jackson, Amparo Galindo, 2009 .

An overview of CO 2 capture technologies

Nilay Shah, Claire S. Adjiman, George Jackson, 2010 .

Carbon capture and storage (CCS): the way forward

Solomon F. Brown, C. Adjiman, E. Rubin, 2018 .

SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide.

George Jackson, Amparo Galindo, C. Adjiman, 2011, The journal of physical chemistry. B.

Integrated Design of CO2 Capture Processes from Natural Gas

Claire S. Adjiman, George Jackson, Frances E. Pereira, 2011 .

Molecules Matter: The Expanding Envelope of Process Design

Claire S. Adjiman, George Jackson, Amparo Galindo, 2014 .

Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design

Claire S. Adjiman, George Jackson, Amparo Galindo, 2016 .

The formulation of optimal mixtures with generalized disjunctive programming: A solvent design case study

Paul T. Akula, C. Adjiman, Polyxeni-Margarita Kleniati, 2016 .

Anode-supported intermediate temperature direct internal reforming solid oxide fuel cell. I: model-based steady-state performance

C. Adjiman, N. Brandon, P. Aguiar, 2004 .

Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis

C. Adjiman, N. Brandon, P. Aguiar, 2005 .

The Effects of Operating Conditions on the Performance of a Solid Oxide Steam Electrolyser: A Model‐Based Study

C. Adjiman, N. Brandon, E. Luna-Ortiz, 2010 .

Arbitrarily tight \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\alpha $$\end{document}αBB underestimators of genera

C. Adjiman, N. Kazazakis, Nikolaos Kazazakis, 2018, Journal of Global Optimization.

BASBL : BRANCH-AND-SANDWICH BILEVEL SOLVER . II . 1 IMPLEMENTATION AND COMPUTATIONAL STUDY 2 WITH THE BASBLIB TEST SET

C. Adjiman, Polyxeni-Margarita Kleniati, 2017 .

Designing optimal mixtures using generalized disjunctive programming: Hull relaxations

C. Adjiman, Suela Jonuzaj, 2017 .

A QM-CAMD approach to solvent design for optimal reaction rates

C. Adjiman, H. Struebing, Eirini Siougkrou, 2017 .

On the optimal design of gas-expanded liquids based on process performance

C. Adjiman, Eirini Siougkrou, A. Galindo, 2014 .

Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs.

C. Adjiman, A. Galindo, T. Borhani, 2019, Physical chemistry chemical physics : PCCP.

Globie: An algorithm for the deterministic global optimization of box-constrained NLPs

Claire S. Adjiman, C. Adjiman, N. Kazazakis, 2014 .

On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions.

C. Adjiman, A. Galindo, G. Jackson, 2016, Faraday discussions.

The Development of a Molecular Systems Engineering Approach to the Design of Carbon-capture Solvents

C. Adjiman, A. Galindo, S. Gopinath, 2017 .

Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range

Claire S. Adjiman, Andrew J. Haslam, George Jackson, 2014 .

A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma).

George Jackson, Amparo Galindo, C. Adjiman, 2007, The Journal of chemical physics.

Microstructural analysis of a solid oxide fuel cell anode using focused ion beam techniques coupled with electrochemical simulation

Nigel P. Brandon, Claire S. Adjiman, Paul R. Shearing, 2010 .

An algorithm for the estimation of parameters in models with stochastic differential equations

Claire S. Adjiman, Andrew J. Haslam, C. Adjiman, 2008 .

Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen

C. Adjiman, A. Galindo, G. Jackson, 2019, Computer Aided Chemical Engineering.

Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2011 .

Bilevel Programming Problems

John L. Klepeis, Panos M. Pardalos, Christodoulos A. Floudas, 1999 .

Design of polyolefin reactor mixtures

Claire S. Adjiman, Andrew J. Haslam, Amparo Galindo, 2006 .

Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids.

C. Adjiman, A. Galindo, F. Perdomo, 2020, Physical chemistry chemical physics : PCCP.

Validation of a process model of CO2 capture in an aqueous solvent, using an implicit molecular based treatment of the reactions

C. Adjiman, A. Galindo, G. Jackson, 2013 .

Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework

C. Adjiman, A. Galindo, G. Jackson, 2012 .

Computer‐Aided Methodologies for the Design of Reaction Solvents

C. Adjiman, E. Pistikopoulos, P. Karamertzanis, 2011 .

A Convex Hull Formulation for the Design of Optimal Mixtures

C. Adjiman, Suela Jonuzaj, 2016 .

Towards the 3D modeling of the effective conductivity of solid oxide fuel cell electrodes – II. Computational parameters

Q. Cai, C. Adjiman, N. Brandon, 2014 .

A METHODOLOGY FOR OPTIMAL SOLVENT DESIGN FOR REACTIONS

C. Adjiman, E. Pistikopoulos, Milica Foli, 2004 .

Computer-aided Solvent Mixture Design for the Crystallisation and Isolation of Mefenamic Acid

C. Adjiman, A. Galindo, C. Price, 2020 .

Outer approximation algorithm with physical domain

C. Adjiman, A. Galindo, S. Gopinath, 2016 .

Fluid Phase Equilibria Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT- (cid:2) SW group contribution approach

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2015 .

A heteronuclear group contribution method for associating chain molecules (SAFT-γ)

C. Adjiman, A. Galindo, G. Jackson, 2008 .

Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate models

C. Adjiman, C. Pantelides, I. Sugden, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal Structures.

C. Adjiman, C. Pantelides, M. Habgood, 2015, Journal of chemical theory and computation.

Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule

C. Adjiman, C. Pantelides, Manolis Vasileiadis, 2015 .

General computational algorithms for ab initio crystal structure prediction for organic molecules.

C. Adjiman, C. Pantelides, A. V. Kazantsev, 2014, Topics in current chemistry.

A computer-aided methodology with robust design criteria for selection of solvents for reactions

C. Adjiman, E. Pistikopoulos, Milica Folic, 2006 .

C. Adjiman, N. Kazazakis, 2018, Journal of Global Optimization.

Process Systems Engineering: Volume 6: Molecular Systems Engineering

Efstratios N. Pistikopoulos, Claire S. Adjiman, Michael C. Georgiadis, 2011 .

1. CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated-Molecule Quantum Mechanical Calculations

C. Adjiman, P. Karamertzanis, A. V. Kazantsev, 2014 .

CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated‐Molecule Quantum Mechanical Calculations

C. Adjiman, C. Pantelides, P. Karamertzanis, 2011 .

Report on the sixth blind test of organic crystal structure prediction methods

Claire S. Adjiman, Julio C. Facelli, Sanjaya Lohani, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie

C. Adjiman, A. Galindo, G. Jackson, 2019, RSC advances.

Editorial to iCAMD special issue

André Bardow, Claire S. Adjiman, C. Adjiman, 2017 .

Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water

C. Adjiman, A. Galindo, J. Burger, 2022, Comput. Chem. Eng..

Model-Based Solvent Selection for the Synthesis and Crystallisation of Pharmaceutical Compounds

C. Adjiman, Shekhar Viswanath, A. Armstrong, 2022, Chemical Engineering Science.

Efficiency enhancement of organic based Light Emitting Diodes using a scattering layer

C. Adjiman, R. Oulton, S. Aramaki, 2004, physics/0411095.

Molecular Engineering of Sustainable Phase-change Solvents: From Digital Design to Scaling-up for CO2 Capture

C. Adjiman, A. Galindo, F. Perdomo, 2020 .

A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, al

C. Adjiman, A. Galindo, F. Perdomo, 2022, Fluid Phase Equilibria.

Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement

C. Adjiman, A. Galindo, G. Jackson, 2021, Fluid Phase Equilibria.

Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization

C. Adjiman, C. Pantelides, D. Braun, 2022, Crystal growth & design.

Ab Initio Crystal Structure Prediction for Flexible Molecules

C. Adjiman, C. Pantelides, A. V. Kazantsev, 2010 .

Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines

C. Adjiman, A. Galindo, F. Perdomo, 2021, AIChE Journal.

Multi-Objective Computer-Aided Solvent Design for Selectivity and Rate in Reactions

C. Adjiman, A. Armstrong, A. Galindo, 2018 .

Structure searching methods: general discussion.

Volker L. Deringer, J. C. Schön, Peter R. Spackman, 2018, Faraday discussions.

Correlations for Concentration Polarization and Pressure Drop in Spacer-Filled RO Membrane Modules Based on CFD Simulations

C. Adjiman, Boram Gu, X. Xu, 2021, Membranes.

8. Integrated Design of CO2 Capture Processes from Natural Gas

Frances E. Pereira, C. Adjiman, A. Galindo, 2014 .

Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part I: Theoretical development

C. Adjiman, Polyxeni-Margarita Kleniati, 2014, Journal of Global Optimization.

SAFT-γ Force Field for the Simulation of Molecular Fluids 9: Coarse-Grained Models for Polyaromatic Hydrocarbons Describing Thermodynamic, Interfacial, Structural, and Transport Properties

C. Adjiman, A. Galindo, G. Jackson, 2022, Journal of Molecular Liquids.

A feasibility-based algorithm for Computer Aided Molecular and Process Design of solvent-based separation systems

C. Adjiman, A. Galindo, S. Gopinath, 2016 .

On the impact of using volume as an independent variable for the solution of P-T fluid-phase equilibrium with equations of state

Claire S. Adjiman, George Jackson, Frances E. Pereira, 2014, Comput. Chem. Eng..

Mechanism, kinetics and selectivity of a Williamson ether synthesis: elucidation under different reaction conditions

C. Adjiman, Zara Ganase, P. Piccione, 2021, Reaction Chemistry & Engineering.

Solvents for ring-closing metathesis reactions.

C. Adjiman, A. Clarke, P. Taylor, 2008, Chemical communications.

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Claire S. Adjiman, Julio C. Facelli, Constantinos C. Pantelides, 2011, Acta crystallographica. Section B, Structural science.

The polymorphs of ROY: application of a systematic crystal structure prediction technique.

C. Adjiman, C. Pantelides, P. Karamertzanis, 2012, Acta crystallographica. Section B, Structural science.

Integrated Design of a Reactor and a Gas-Expanded Solvent

C. Adjiman, Eirini Siougkrou, A. Galindo, 2011 .

Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction.

Sarah L Price, Peter T. A. Galek, Panagiotis G Karamertzanis, 2011, International journal of pharmaceutics.

Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state

C. Adjiman, A. Galindo, G. Jackson, 2016 .

The effect of feed spacer geometry on membrane performance and concentration polarisation based on 3D CFD simulations

Claire S. Adjiman, Boram Gu, Xiao Yun Xu, 2017 .

A predictive model for spiral wound reverse osmosis membrane modules: The effect of winding geometry and accurate geometric details

Claire S. Adjiman, Boram Gu, Xiao Yun Xu, 2017, Comput. Chem. Eng..

An overview of CO2 capture technologies

Nilay Shah, Claire S. Adjiman, George Jackson, 2010 .

Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures

C. Adjiman, A. Galindo, F. Perdomo, 2020 .

Transferable SAFT-VR models for the calculation of the fluid phase equilibria in reactive mixtures of carbon dioxide, water, and n-alkylamines in the context of carbon capture.

Frances E. Pereira, C S Adjiman, C. Adjiman, 2011, The journal of physical chemistry. B.

A generalisation of the SAFT-γ group contribution method for groups comprising multiple spherical segments

Claire S. Adjiman, George Jackson, Amparo Galindo, 2008 .

SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2012 .

Intramolecular bonding in a statistical associating fluid theory of ring aggregates

C. Adjiman, A. Galindo, G. Jackson, 2019, Molecular Physics.

Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane

Claire S. Adjiman, Frances E. Pereira, George Jackson, 2011, Comput. Chem. Eng..

Accurate statistical associating fluid theory for chain molecules formed from Mie segments.

George Jackson, Amparo Galindo, C. Adjiman, 2013, The Journal of chemical physics.

Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients

C. Adjiman, A. Galindo, Suela Jonuzaj, 2021, Organic process research & development.

A comparative study of multi-objective optimization methodologies for molecular and process design

Claire S. Adjiman, Amparo Galindo, Ye Seol Lee, 2020, Comput. Chem. Eng..

Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles

Claire S. Adjiman, Amparo Galindo, George Jackson, 2020 .

Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainability

Claire S. Adjiman, Athanasios I. Papadopoulos, Stavros Papadokonstantakis, 2016 .

Modelling the Fluid Phase Behaviour of Multifunctional Alkanolamines and Carbon Dioxide Using the Saft-? Approach

Claire S. Adjiman, George Jackson, Amparo Galindo, 2013 .

Prediction and Calculation of Crystal Structures: Methods and Applications

Alán Aspuru-Guzik, Sule Atahan-Evrenk, C. S. Adjiman, 2014 .

Towards the 3D Modelling of the Effective Conductivity of Solid Oxide Fuel Cell Electrodes - Validation against experimental measurements and prediction of electrochemical performance

Q. Cai, C. Adjiman, N. Brandon, 2015 .

Investigation of the active thickness of solid oxide fuel cell electrodes using a 3D microstructure model

Q. Cai, C. Adjiman, N. Brandon, 2011 .

Modelling the 3D microstructure and performance of solid oxide fuel cell electrodes: Computational parameters

Q. Cai, C. Adjiman, N. Brandon, 2011 .

Efficient Screening and Selection of Post-combustion CO2 Capture Solvents

Claire S. Adjiman, Athanasios I. Papadopoulos, Stavros Papadokonstantakis, 2014 .

Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study

C. Adjiman, A. Armstrong, A. Galindo, 2023, Industrial & engineering chemistry research.

Arbitrarily tight α BB underestimators of general non-linear functions over sub-optimal domains

N. Kazazakis, C. S. Adjiman, C. Adjiman, 2018, J. Glob. Optim..

Two results on bounding the roots of interval polynomials

Christodoulos A. Floudas, Claire S. Adjiman, D. Hertz, 1999 .

Global optimization of MINLP problems in Process Synthesis and Design

Christodoulos A. Floudas, Claire S. Adjiman, Ioannis P. Androulakis, 1997 .

Rigorous convex underestimators for general twice-differentiable problems

Christodoulos A. Floudas, Claire S. Adjiman, C. Adjiman, 1996, J. Glob. Optim..

A global optimization method, αBB, for process design

Christodoulos A. Floudas, Claire S. Adjiman, Ioannis P. Androulakis, 1996 .

The α BB Global Optimization Algorithm for Nonconvex Problems: An Overview

Christodoulos A. Floudas, Claire S. Adjiman, C. Adjiman, 2001 .

Quadratic Programming Problems

John L. Klepeis, Panos M. Pardalos, Christodoulos A. Floudas, 1999 .

Mixed-Integer Nonlinear Optimization in Process Synthesis

Christodoulos A. Floudas, Claire S. Adjiman, Carl A. Schweiger, 1998 .

Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part I: Theoretical development

Claire S. Adjiman, Polyxeni-Margarita Kleniati, C. Adjiman, 2014, Journal of Global Optimization.

Proof of Convergence for a Global Optimization Algorithm for Problems with Ordinary Differential Equations

Ioannis Papamichail, Claire S. Adjiman, C. Adjiman, 2005, J. Glob. Optim..

A Rigorous Global Optimization Algorithm for Problems with Ordinary Differential Equations

Claire S. Adjiman, Ioannis Papamichail, C. Adjiman, 2002, J. Glob. Optim..

Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part II: Convergence analysis and numerical results

Claire S. Adjiman, Polyxeni-Margarita Kleniati, C. Adjiman, 2014, Journal of Global Optimization.

Global optimization of dynamic systems

Claire S. Adjiman, Ioannis Papamichail, C. Adjiman, 2004, Comput. Chem. Eng..

A Deterministic Global Optimization Algorithm for Problems with Nonlinear Dynamics

Claire S. Adjiman, Ioannis Papamichail, C. Adjiman, 2004 .

A generalization of the Branch-and-Sandwich algorithm: From continuous to mixed-integer nonlinear bilevel problems

Claire S. Adjiman, Polyxeni-Margarita Kleniati, C. Adjiman, 2015, Comput. Chem. Eng..

The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state

Claire S. Adjiman, Frances E. Pereira, George Jackson, 2012, Comput. Chem. Eng..

Chapter 3 – A method for the systematic estimation of parameters for a stochastic reptation model

C. Adjiman, A. J. Haslam, M. Laso, 2006 .

Modelling system efficiencies and costs of two biomass-fuelled SOFC systems

Nigel P. Brandon, Claire S. Adjiman, David J. Hart, 2004 .

Development of Predictive Models of the Kinetics of a Hydrogen Abstraction Reaction Combining Quantum-Mechanical Calculations and Experimental Data

C. Adjiman, P. Piccione, A. Galindo, 2017 .

Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR

Claire S. Adjiman, Andrew J. Haslam, George Jackson, 2006 .

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.

Tighter $$\alpha $$αBB relaxations through a refinement scheme for the scaled Gerschgorin theorem

Claire S. Adjiman, Dimitrios Nerantzis, C. Adjiman, 2019, J. Glob. Optim..

Deterministic Global Optimization and Transition States

Claire S. Adjiman, Dimitrios Nerantzis, C. Adjiman, 2015 .

Anode-supported intermediate-temperature direct internal reforming solid oxide fuel cell. II. Model-based dynamic performance and control

Nigel P. Brandon, Claire S. Adjiman, P. Aguiar, 2005 .

Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach

Claire S. Adjiman, George Jackson, Amparo Galindo, 2010 .

Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction.

Sarah L Price, Panagiotis G Karamertzanis, C. Adjiman, 2009, Journal of chemical theory and computation.

Towards the 3D modeling of the effective conductivity of solid oxide fuel cell electrodes: I. Model development

Nigel P. Brandon, Claire S. Adjiman, Qiong Cai, 2013 .

Biomass to Heat Supply Chains: Applications of Process Optimization

Nilay Shah, Claire S. Adjiman, A. Dunnett, 2007 .

A PHYSICAL ABSORPTION PROCESS FOR THE CAPTURE OF CO 2 FROM CO 2-RICH NATURAL GAS STREAMS

C. Adjiman, A. Galindo, G. Jackson, 2006 .

Nonlinear and mixed-integer optimization in chemical process network systems

Christodoulos A. Floudas, Claire S. Adjiman, Carl A. Schweiger, 1997, Network Design: Connectivity and Facilities Location.

Optimal control strategies for hydrogen production when coupling solid oxide electrolysers with intermittent renewable energies

Nigel P. Brandon, Claire S. Adjiman, Qiong Cai, 2014 .

Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals.

C S Adjiman, C. Adjiman, C. Pantelides, 2011, Journal of chemical theory and computation.

Efficient Parameterization of a Surrogate Model of Molecular Interactions in Crystals

Adam C. Keates, C. Adjiman, C. Pantelides, 2020 .

Advanced thermodynamic and processing modelling integration for amine scrubbing in post-combustion CO2 capture

C. Adjiman, A. Galindo, G. Jackson, 2008 .

SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.

C. Adjiman, A. Galindo, G. Jackson, 2013, The journal of physical chemistry. B.

Solid oxide fuel cell micro combined heat and power system operating strategy: Options for provision of residential space and water heating

Adam Hawkes, Nigel P. Brandon, Claire S. Adjiman, 2007 .

Chapter 7 - The derivation of size parameters for the SAFT–VR equation of state from quantum mechanical calculations

C. Adjiman, A. Galindo, G. Jackson, 2006 .

Repulsion-dispersion parameters for the modelling of organic molecular crystals containing N, O, S and Cl.

C. Adjiman, C. Pantelides, C. Gatsiou, 2018, Faraday discussions.

Microstructural Modeling of Solid Oxide Fuel Cell Anodes

Nigel P. Brandon, Claire S. Adjiman, Joshua Golbert, 2008 .

1 CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Quantum Mechanical Calculations

C. Adjiman, C. Pantelides, P. Karamertzanis, 2009 .

Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate models

C. Adjiman, C. Pantelides, I. Sugden, 2016, Acta crystallographica Section B, Structural science, crystal engineering and materials.

How many more polymorphs of ROY remain undiscovered

C. Adjiman, C. Pantelides, G. Beran, 2021, Chemical science.

Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. II. Smoothed intramolecular potentials.

C. Adjiman, C. Pantelides, I. Sugden, 2019, Acta crystallographica Section B, Structural science, crystal engineering and materials.

Microstructural Characterization of SOFC Electrodes: Observations and Simulations

Q. Cai, C. Adjiman, P. Shearing, 2011 .

Enabling the direct solution of challenging computer-aided molecular and process design problems: Chemical absorption of carbon dioxide

Ye Seol Lee, C. Adjiman, A. Galindo, 2023, Comput. Chem. Eng..

Crystal Structure Prediction Methods for Organic Molecules: State of the Art.

C. Adjiman, C. Pantelides, I. Sugden, 2021, Annual review of chemical and biomolecular engineering.

Computer-aided design of optimal environmentally benign solvent-based adhesive products

Claire S. Adjiman, Suela Jonuzaj, Jingyue Cui, 2019, Comput. Chem. Eng..

Solvent Design Using a Quantum Mechanical Continuum Solvation Model

Claire S. Adjiman, C. Adjiman, T. J. Sheldon, 2006 .

Hydrogen production through steam electrolysis

Nigel P. Brandon, Claire S. Adjiman, Qiong Cai, 2012 .

Assessment of a two-step approach for global optimization of mixed-integer polynomial programs using quadratic reformulation

C. Adjiman, B. Chachuat, Tanuj Karia, 2022, Comput. Chem. Eng..

Global Optimization of Mixed-Integer Polynomial Programs via Quadratic Reformulation

Claire S. Adjiman, Benoît Chachuat, Tanuj Karia, 2021, 31st European Symposium on Computer Aided Process Engineering.

Pure component properties from group contribution: Hydrogen-bond basicity, hydrogen-bond acidity, Hildebrand solubility parameter, macroscopic surface tension, dipole moment, refractive index and dielectric constant

Claire S. Adjiman, J. L. Cordiner, C. Adjiman, 2005 .

The Hypothalamus in Alzheimer’s Disease

C. Adjiman, A. Galindo, A. Papadopoulos, 2014, American journal of Alzheimer's disease and other dementias.

Repulsion-dispersion parameters for the modelling of organic molecular crystals containing N, O, S and Cl.

C. Adjiman, C. Pantelides, C. Gatsiou, 2018, Faraday discussions.

Modeling the Thermodynamic Properties of Saturated Lactones in Nonideal Mixtures with the SAFT-γ Mie Approach

C. Adjiman, A. Galindo, A. J. Haslam, 2023, Journal of chemical and engineering data.

A predictive model for the techno-economic assessment of CO2 chemisorption processes applicable to a large number of amine solvents

Ye Seol Lee, C. Adjiman, A. Galindo, 2023, Chemical Engineering Research and Design.

Towards the identification of optimal solvents for long chain alkanes with the SAFT equation of state

C. Adjiman, A. Galindo, G. Jackson, 2003 .

New bounding schemes and algorithmic options for the Branch-and-Sandwich algorithm

Remigijus Paulavičius, Claire S. Adjiman, C. Adjiman, 2020, Journal of Global Optimization.

Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie)

C. Adjiman, A. Galindo, Vasileios Papaioannou, 2011 .

Optimal Solvent Design for Batch Separation Based on Economic Performance

Claire S. Adjiman, Efstratios N. Pistikopoulos, Apostolos Giovanoglou, 2003 .

Quantitative framework for reliable safety analysis

Nilay Shah, Claire S. Adjiman, Haitao Huang, 2002 .

Chapter 11 - Toward Sustainable Solvent-Based Postcombustion CO2 Capture: From Molecules to Conceptual Flowsheet Design

Claire S. Adjiman, Athanasios I. Papadopoulos, Konrad Hungerbühler, 2015 .

An optimization framework to combine operable space maximization with design of experiments

Qi Chen, Remigijus Paulavičius, Claire S. Adjiman, 2018, AIChE Journal.

BASBL: Branch-And-Sandwich BiLevel solver. Implementation and computational study with the BASBLib test set

Claire S. Adjiman, J. Gao, Remigijus Paulavicius, 2020, Comput. Chem. Eng..

Computer-Aided Solvent Design for Reactions: Maximizing Product Formation

Efstratios N. Pistikopoulos, Claire S. Adjiman, Milica Folić, 2008 .

Design of solvents for optimal reaction rate constants

Claire S. Adjiman, Efstratios N. Pistikopoulos, Milica Folić, 2007 .

BASBLib - a library of bilevel test problems

Remigijus Paulavičius, Claire S. Adjiman, C. Adjiman, 2019 .

Global Optimization of Planar Multilayered Dielectric Structures

Claire S. Adjiman, R. F. Oulton, C. Adjiman, 2009, Encyclopedia of Optimization.

Integrating model-based design of experiments and computer-aided solvent design

C. Adjiman, Eirini Siougkrou, A. Galindo, 2023, Comput. Chem. Eng..

Molecular systems engineering

C. Adjiman, A. Galindo, 2010 .

Modelling the dynamic response of a solid oxide steam electrolyser to transient inputs during renewable hydrogen production

Nigel P. Brandon, Claire S. Adjiman, Qiong Cai, 2010 .

Thermal Management Issues in Fuel Cell Technology

C. Adjiman, N. Brandon, A. Marquis, 2010 .

The design of optimal mixtures from atom groups using Generalized Disjunctive Programming

C. Adjiman, Suela Jonuzaj, Aparana Gupta, 2018, Comput. Chem. Eng..