Claire Adjiman
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Chemical Engineering researcher
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Why Is Claire Adjiman Influential?
(Suggest an Edit or Addition)According to Wikipedia, Claire Sandrine Jacqueline Adjiman is a professor of Chemical Engineering at the Department of Chemical Engineering at Imperial College London and a Fellow of the Royal Academy of Engineering. Early life and education Claire Sandrine Jacqueline Adjiman was raised in France and relocated to London in 1988. Adjiman received a master's degree in chemical engineering from Imperial College London in 1993. She completed a PhD under Christodoulos A. Floudas at Princeton University in 1998 and her thesis was titled 'Global optimization Techniques for Process Systems Engineering' .
Claire Adjiman's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Carbon capture and storage (CCS): the way forward (2018) (1582)
- An overview of CO2 capture technologies (2010) (1308)
- Anode-supported intermediate temperature direct internal reforming solid oxide fuel cell. I: model-based steady-state performance (2004) (646)
- A global optimization method, αBB, for general twice-differentiable constrained NLPs — I. Theoretical advances (1998) (528)
- Accurate statistical associating fluid theory for chain molecules formed from Mie segments. (2013) (341)
- A global optimization method, αBB, for general twice-differentiable constrained NLPs—II. Implementation and computational results (1998) (340)
- Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test (2011) (315)
- Anode-supported intermediate-temperature direct internal reforming solid oxide fuel cell. II. Model-based dynamic performance and control (2005) (301)
- Report on the sixth blind test of organic crystal structure prediction methods (2016) (301)
- Global optimization of mixed‐integer nonlinear problems (2000) (267)
- Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments. (2014) (227)
- A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-gamma). (2007) (217)
- SAFT-γ force field for the simulation of molecular fluids. 1. A single-site coarse grained model of carbon dioxide. (2011) (177)
- Rigorous convex underestimators for general twice-differentiable problems (1996) (167)
- Modelling system efficiencies and costs of two biomass-fuelled SOFC systems (2004) (162)
- A spatially explicit whole-system model of the lignocellulosic bioethanol supply chain: an assessment of decentralised processing potential (2008) (158)
- Global optimization of MINLP problems in Process Synthesis and Design (1997) (145)
- An overview of CO 2 capture technologies (2010) (138)
- A Rigorous Global Optimization Algorithm for Problems with Ordinary Differential Equations (2002) (132)
- Computer-aided molecular design of solvents for accelerated reaction kinetics. (2013) (132)
- Modeling the Fluid Phase Behavior of Carbon Dioxide in Aqueous Solutions of Monoethanolamine Using Transferable Parameters with the SAFT-VR Approach (2010) (130)
- A generalisation of the SAFT-γ group contribution method for groups comprising multiple spherical segments (2008) (127)
- A global optimization method, αBB, for process design (1996) (126)
- SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes. (2013) (120)
- Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction. (2009) (116)
- A hierarchical method to integrated solvent and process design of physical CO2 absorption using the SAFT‐γ Mie approach (2015) (113)
- Comparison of two IT DIR-SOFC models: Impact of variable thermodynamic, physical, and flow properties. Steady-state and dynamic analysis (2005) (111)
- Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction. (2011) (108)
- Efficient Handling of Molecular Flexibility in Lattice Energy Minimization of Organic Crystals. (2011) (106)
- Prediction of Thermodynamic Properties and Phase Behavior of Fluids and Mixtures with the SAFT-γ Mie Group-Contribution Equation of State (2014) (105)
- Biomass to Heat Supply Chains: Applications of Process Optimization (2007) (101)
- Microstructural analysis of a solid oxide fuel cell anode using focused ion beam techniques coupled with electrochemical simulation (2010) (96)
- The effect of feed spacer geometry on membrane performance and concentration polarisation based on 3D CFD simulations (2017) (96)
- Solid oxide fuel cell micro combined heat and power system operating strategy: Options for provision of residential space and water heating (2007) (93)
- Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane (2011) (87)
- SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzene (2012) (86)
- Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approach (2012) (82)
- Modelling the 3D microstructure and performance of solid oxide fuel cell electrodes: Computational parameters (2011) (82)
- Microstructural Modeling of Solid Oxide Fuel Cell Anodes (2008) (77)
- 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. (2011) (77)
- Global optimization of dynamic systems (2004) (75)
- Techno-economic modelling of a solid oxide fuel cell stack for micro combined heat and power (2006) (74)
- Efficient Screening and Selection of Post-combustion CO2 Capture Solvents (2014) (67)
- Optimal Solvent Design for Batch Separation Based on Economic Performance (2003) (66)
- Design of solvents for optimal reaction rate constants (2007) (65)
- Application of the SAFT-γ Mie group contribution equation of state to fluids of relevance to the oil and gas industry (2016) (65)
- Modelling of the thermodynamic and solvation properties of electrolyte solutions with the statistical associating fluid theory for potentials of variable range (2014) (64)
- Prediction of the crystal structures of axitinib, a polymorphic pharmaceutical molecule (2015) (63)
- Simultaneous prediction of vapour-liquid and liquid-liquid equilibria (VLE and LLE) of aqueous mixtures with the SAFT-γ group contribution approach (2011) (62)
- Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal Structures. (2015) (52)
- Computer-Aided Solvent Design for Reactions: Maximizing Product Formation (2008) (52)
- Investigation of the active thickness of solid oxide fuel cell electrodes using a 3D microstructure model (2011) (51)
- Solvents for ring-closing metathesis reactions. (2008) (51)
- The Effects of Operating Conditions on the Performance of a Solid Oxide Steam Electrolyser: A Model‐Based Study (2010) (51)
- Prediction and Calculation of Crystal Structures: Methods and Applications (2014) (48)
- Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainability (2016) (48)
- The polymorphs of ROY: application of a systematic crystal structure prediction technique. (2012) (48)
- A generalization of the Branch-and-Sandwich algorithm: From continuous to mixed-integer nonlinear bilevel problems (2015) (47)
- Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design (2016) (42)
- Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part I: Theoretical development (2014) (42)
- Optimal control strategies for hydrogen production when coupling solid oxide electrolysers with intermittent renewable energies (2014) (41)
- 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 (2005) (40)
- Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part II: Convergence analysis and numerical results (2014) (39)
- Mixed-Integer Nonlinear Optimization in Process Synthesis (1998) (38)
- Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of state (2016) (36)
- Molecules Matter: The Expanding Envelope of Process Design (2014) (36)
- The formulation of optimal mixtures with generalized disjunctive programming: A solvent design case study (2016) (35)
- Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals (2017) (35)
- Predicting enhanced absorption of light gases in polyethylene using simplified PC-SAFT and SAFT-VR (2006) (33)
- Understanding the fluid phase behaviour of crude oil: Asphaltene precipitation (2011) (33)
- A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space (2010) (32)
- General computational algorithms for ab initio crystal structure prediction for organic molecules. (2014) (31)
- Modelling the phase and chemical equilibria of aqueous solutions of alkanolamines and carbon dioxide using the SAFT-γ SW group contribution approach (2016) (30)
- The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state (2012) (30)
- A QM-CAMD approach to solvent design for optimal reaction rates (2017) (29)
- On the optimal design of gas-expanded liquids based on process performance (2014) (29)
- Quantitative framework for reliable safety analysis (2002) (28)
- 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 (2016) (28)
- Two results on bounding the roots of interval polynomials (1999) (27)
- A predictive model for spiral wound reverse osmosis membrane modules: The effect of winding geometry and accurate geometric details (2017) (24)
- Integrated solvent and process design for the reactive separation of CO2 from flue gas (2010) (24)
- An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents (2020) (23)
- Designing optimal mixtures using generalized disjunctive programming: Hull relaxations (2017) (22)
- The design of optimal mixtures from atom groups using Generalized Disjunctive Programming (2018) (22)
- Hybrid QSPR models for the prediction of the free energy of solvation of organic solute/solvent pairs. (2019) (21)
- Chapter 11 - Toward Sustainable Solvent-Based Postcombustion CO2 Capture: From Molecules to Conceptual Flowsheet Design (2015) (20)
- Integrated Design of CO2 Capture Processes from Natural Gas (2011) (19)
- Group Contribution Methodologies for the Prediction of Thermodynamic Properties and Phase Behavior in Mixtures (2011) (19)
- Towards the 3D Modelling of the Effective Conductivity of Solid Oxide Fuel Cell Electrodes - Validation against experimental measurements and prediction of electrochemical performance (2015) (18)
- Expanding the Applications of the SAFT-γ Mie Group-Contribution Equation of State: Prediction of Thermodynamic Properties and Phase Behavior of Mixtures (2020) (18)
- Solvent Design Using a Quantum Mechanical Continuum Solvation Model (2006) (18)
- Towards the 3D modeling of the effective conductivity of solid oxide fuel cell electrodes: I. Model development (2013) (17)
- Molecular Engineering of Sustainable Phase-change Solvents: From Digital Design to Scaling-up for CO2 Capture (2020) (16)
- Crystal Structure Prediction Methods for Organic Molecules: State of the Art. (2021) (14)
- On the impact of using volume as an independent variable for the solution of P-T fluid-phase equilibrium with equations of state (2014) (14)
- BASBL: Branch-And-Sandwich BiLevel solver. Implementation and computational study with the BASBLib test set (2020) (14)
- Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate models (2016) (13)
- Process Systems Engineering Perspective on the Design of Materials and Molecules (2021) (13)
- Modelling the dynamic response of a solid oxide steam electrolyser to transient inputs during renewable hydrogen production (2010) (13)
- Computer-aided design of optimal environmentally benign solvent-based adhesive products (2019) (13)
- Modelling the Fluid Phase Behaviour of Multifunctional Alkanolamines and Carbon Dioxide Using the Saft-? Approach (2013) (12)
- A comparative study of multi-objective optimization methodologies for molecular and process design (2020) (12)
- Towards the 3D modeling of the effective conductivity of solid oxide fuel cell electrodes – II. Computational parameters (2014) (12)
- Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles (2020) (12)
- Correlations for Concentration Polarization and Pressure Drop in Spacer-Filled RO Membrane Modules Based on CFD Simulations (2021) (12)
- The design of solvents for optimal reaction rates (2004) (11)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures (2009) (11)
- Computer Aided Design of Solvent Blends for Hybrid Cooling and Antisolvent Crystallization of Active Pharmaceutical Ingredients (2021) (11)
- On the use of molecular-based thermodynamic models to assess the performance of solvents for CO2 capture processes: monoethanolamine solutions. (2016) (11)
- Proof of Convergence for a Global Optimization Algorithm for Problems with Ordinary Differential Equations (2005) (11)
- Global optimization for clusters of flexible molecules—solvent–solute interaction energy calculations (2002) (10)
- Hydrogen production through steam electrolysis (2012) (10)
- Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams (2009) (10)
- An algorithm for the estimation of parameters in models with stochastic differential equations (2008) (10)
- Optimization Methods in CAMD – II (2003) (10)
- Nonlinear and mixed-integer optimization in chemical process network systems (1997) (9)
- Chapter 7 - The derivation of size parameters for the SAFT–VR equation of state from quantum mechanical calculations (2006) (9)
- CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated‐Molecule Quantum Mechanical Calculations (2011) (9)
- Bilevel Programming Problems (1999) (9)
- Predictive models for the phase behaviour and solution properties of weak electrolytes: nitric, sulphuric, and carbonic acids. (2020) (8)
- Description of the thermodynamic properties and fluid‐phase behavior of aqueous solutions of linear, branched, and cyclic amines (2021) (8)
- An optimization framework to combine operable space maximization with design of experiments (2018) (8)
- Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2019) (7)
- A PHYSICAL ABSORPTION PROCESS FOR THE CAPTURE OF CO 2 FROM CO 2-RICH NATURAL GAS STREAMS (2006) (7)
- Refrigerant Design Case Study (2003) (7)
- 1. CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Isolated-Molecule Quantum Mechanical Calculations (2014) (7)
- Validation of an absorber model of carbon dioxide capture in an aqueous amine solvent developed based on the SAFT-VR framework (2012) (7)
- A Deterministic Global Optimization Algorithm for Problems with Nonlinear Dynamics (2004) (6)
- Globie: An algorithm for the deterministic global optimization of box-constrained NLPs (2014) (6)
- Integrating advanced thermodynamics and process and solvent design for gas separation (2006) (6)
- BASBL : BRANCH-AND-SANDWICH BILEVEL SOLVER . II . 1 IMPLEMENTATION AND COMPUTATIONAL STUDY 2 WITH THE BASBLIB TEST SET (2017) (6)
- Intramolecular bonding in a statistical associating fluid theory of ring aggregates (2019) (6)
- Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. II. Smoothed intramolecular potentials. (2019) (6)
- Development of Predictive Models of the Kinetics of a Hydrogen Abstraction Reaction Combining Quantum-Mechanical Calculations and Experimental Data (2017) (6)
- Computer-aided Design of Solvent Blends for the Cooling and Anti-solvent Crystallisation of Ibuprofen (2019) (6)
- How many more polymorphs of ROY remain undiscovered (2021) (6)
- Molecular systems engineering (2010) (5)
- New bounding schemes and algorithmic options for the Branch-and-Sandwich algorithm (2020) (5)
- Extending the SAFT-γ Mie approach to model benzoic acid, diphenylamine, and mefenamic acid: Solubility prediction and experimental measurement (2021) (5)
- A computer-aided methodology for optimal solvent design for reactions with experimental verification (2005) (5)
- Global optimization and modeling techniques for planar multilayered dielectric structures. (2006) (5)
- Global optimization of nonconvex bilevel problems: implementation and computational study of the Branch-and-Sandwich algorithm (2016) (5)
- Integrated Design of a Reactor and a Gas-Expanded Solvent (2011) (4)
- Arbitrarily tight α BB underestimators of general non-linear functions over sub-optimal domains (2018) (4)
- Optimal Solvent Design Approaches (2009) (4)
- Computer‐Aided Methodologies for the Design of Reaction Solvents (2011) (4)
- Chapter 1 Parameter estimation for stochastic differential equations: algorithm and application to polymer melt rheology (2006) (4)
- Multi-Objective Computer-Aided Solvent Design for Selectivity and Rate in Reactions (2018) (4)
- A computer-aided methodology with robust design criteria for selection of solvents for reactions (2006) (4)
- Safety verification in chemical plants: A new quantitative approach (1999) (4)
- Key Challenges in Biomass Gasification Processes (2010) (4)
- Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization (2022) (4)
- Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion. (2018) (4)
- Mechanism, kinetics and selectivity of a Williamson ether synthesis: elucidation under different reaction conditions (2021) (4)
- Solvent design for a Menschutkin reaction by using CAMD and DFT calculations (2010) (3)
- Quadratic Programming Problems (1999) (3)
- A predictive group-contribution framework for the thermodynamic modelling of CO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e8626" altimg="si413.svg"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math> absorption in cyclic amines, al (2022) (3)
- An integrated framework for model-based flow assurance in deep-water oil and gas production (2008) (3)
- Applications of crystal structure prediction - organic molecular structures: general discussion. (2018) (3)
- Repulsion-dispersion parameters for the modelling of organic molecular crystals containing N, O, S and Cl. (2018) (3)
- Generalized Geometric Programming Problems (1999) (3)
- Enclosure of all index-1 saddle points of general nonlinear functions (2016) (3)
- Process Systems Engineering: Volume 6: Molecular Systems Engineering (2011) (3)
- Ab Initio Crystal Structure Prediction for Flexible Molecules (2010) (3)
- Toward Sustainable Solvent-Based Postcombustion CO2 Capture (2015) (3)
- Risk analysis and robust design under technological uncertainty (2006) (3)
- A comparison of the performance of multi-objective optimization methodologies for solvent design (2019) (3)
- Solid Oxide Fuel Cell Electrode 3D Microstructure and Performance Modeling (2011) (3)
- BASBLib - a library of bilevel test problems (2019) (3)
- On the Design of Optimal Solvent Mixtures using Generalised Disjunctive Programming (2011) (3)
- Design of polyolefin reactor mixtures (2006) (3)
- Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part I: Theoretical development (2014) (3)
- Optimal design of post combustion CO2 capture processes based on phase-change solvents (2019) (3)
- Robust algorithms for the calculation of phase equilibrium (2010) (2)
- The α BB Global Optimization Algorithm for Nonconvex Problems: An Overview (2001) (2)
- Editorial to iCAMD special issue (2017) (2)
- A feasibility-based algorithm for Computer Aided Molecular and Process Design of solvent-based separation systems (2016) (2)
- Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. (2016) (2)
- An interval-matrix branch-and-bound algorithm for bounding eigenvalues (2017) (2)
- Model-Based Evaluation of the Production of Pure Oxygen through SOFC/SOEC Integration (2011) (2)
- Efficiency enhancement of organic based Light Emitting Diodes using a scattering layer (2004) (2)
- Carbon capture and storage: the way forward (2018) (2)
- Micro-structural Modelling of SOFC Anodes (2007) (2)
- Advanced thermodynamic and processing modelling integration for amine scrubbing in post-combustion CO2 capture (2008) (2)
- A library of nonconvex bilevel test problems with the corresponding AMPL input files (2016) (2)
- Correction: Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-γ Mie (2020) (2)
- Deterministic Global Optimization and Transition States (2015) (2)
- Validation of a process model of CO2 capture in an aqueous solvent, using an implicit molecular based treatment of the reactions (2013) (2)
- Computer-aided Solvent Mixture Design for the Crystallisation and Isolation of Mefenamic Acid (2020) (2)
- Mixed-Integer Nonlinear Programming Problems (MINLPs) (1999) (2)
- Molecular science and engineering: a powerful transdisciplinary approach to solving grand challenges (2017) (2)
- Combinatorial Optimization Problems (1999) (2)
- Tighter $$\alpha $$αBB relaxations through a refinement scheme for the scaled Gerschgorin theorem (2019) (2)
- Structure searching methods: general discussion. (2018) (2)
- 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 (2018) (2)
- Model-Based Solvent Selection for the Synthesis and Crystallisation of Pharmaceutical Compounds (2022) (1)
- Arbitrarily tight $$\alpha $$αBB underestimators of general non-linear functions over sub-optimal domains (2018) (1)
- Prediction of thermodynamics and fluid-phase behaviour of aqueous solutions of linear, branched, and cyclic amines (2020) (1)
- SAFT-γ Force Field for the Simulation of Molecular Fluids 9: Coarse-Grained Models for Polyaromatic Hydrocarbons Describing Thermodynamic, Interfacial, Structural, and Transport Properties (2022) (1)
- State estimation for dynamic prediction of hydrate formation in oil and gas production systems (2008) (1)
- 1 CrystalOptimizer: An Efficient Algorithm for Lattice Energy Minimization of Organic Crystals Using Quantum Mechanical Calculations (2009) (1)
- Towards the identification of optimal solvents for long chain alkanes with the SAFT equation of state (2003) (1)
- Microstructural Characterization of SOFC Electrodes: Observations and Simulations (2011) (1)
- Enhancement of optical extraction from OLEDs using scattering layers (2005) (1)
- Global Optimization of Mixed-Integer Polynomial Programs via Quadratic Reformulation (2021) (1)
- A Convex Hull Formulation for the Design of Optimal Mixtures (2016) (1)
- Branch-and-Sandwich (2011) (1)
- A Comprehensive Approach for the Design of Solvent-based Adhesive Products using Generalized Disjunctive Programming (2018) (1)
- Assessment of a two-step approach for global optimization of mixed-integer polynomial programs using quadratic reformulation (2022) (1)
- A heteronuclear group contribution method for associating chain molecules (SAFT-γ) (2008) (1)
- Thermal Management Issues in Fuel Cell Technology (2010) (1)
- An approach for simultaneous computer-aided solvent design and process design for CO2 chemical absorption processes (2021) (1)
- Development of accurate and efficient ab initio potentials for effective crystal structure prediction (2019) (0)
- Tighter α\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}BB relaxations through a refinement sc (2019) (0)
- Uncovering the Most Kinetically Influential Reaction Pathway Driving the Generation of HCN from Oxyma/DIC Adduct: A Theoretical Study (2023) (0)
- Modelling - from molecules to mega-scale: general discussion. (2016) (0)
- 8. Integrated Design of CO2 Capture Processes from Natural Gas (2014) (0)
- Enabling the direct solution of challenging computer-aided molecular and process design problems: Chemical absorption of carbon dioxide (2023) (0)
- Multi-objective optimization of equation of state molecular parameters: SAFT-VR Mie models for water (2022) (0)
- New potentials for accurate and efficient ab initio crystal structure prediction methods (2018) (0)
- Biconvex and Difference of Convex Functions (D.C.) Problems (1999) (0)
- The Integration of Solid Oxide Fuel Cells and Solid Oxide Electrolysis Cells for the High Efficiency Production of Oxygen and Hydrogen (2011) (0)
- Rationalising the difference in crystallisability of two Sulflowers using efficient in silico methods (2022) (0)
- Efficient Parameterization of a Surrogate Model of Molecular Interactions in Crystals (2020) (0)
- Integrated Modeling of Mixture Fluid Phase Equilibrium Experiments Using SAFT-VR Applied to Xenon + Diborane, Xenon + Cyclopropane, Xenon + Boron Trifluoride (2009) (0)
- Maximizing Hydrogen Production of A Solid Oxide Electrolyser Cell (0)
- Enclosure of all index-1 saddle points of general nonlinear functions (2016) (0)
- Micro-Structural Heterogeneous Model of SOFC Anodes (2008) (0)
- The Development of a Molecular Systems Engineering Approach to the Design of Carbon-capture Solvents (2017) (0)
- Simultaneous prediction of phase behaviour and second derivative properties with a group contribution approach (SAFT-γ Mie) (2011) (0)
- International Programming Committee (2019) (0)
- Model-based safety verification under uncertainty (2000) (0)
- Nonlinear Systems of Equations (1999) (0)
- Outer approximation algorithm with physical domain (2016) (0)
- Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part II. Smoothed intramolecular potentials (2018) (0)
- Dynamic Optimization Problems (1999) (0)
- Univariate Polynomial Problems (1999) (0)
- iCAMD - Integrating Computer-Aided Molecular Design into Product and Process Design (2017) (0)
- A METHODOLOGY FOR OPTIMAL SOLVENT DESIGN FOR REACTIONS (2004) (0)
- Modelling the Liquid Phase Behaviour of Aqueous Non-Ionic Amphiphilic Mixtures in the Presence of Oil and Salt Modelled with SAFT-VRE (2009) (0)
- A Review of Progress in the UK Supergen Fuel Cell Programme (2009) (0)
- Micro-Structural Modeling of SOFC Electrodes (2007) (0)
- Effect of Porosity on Percolation and Transport Phenomena in Composite Electrodes (2009) (0)
- Quadratically Constrained Problems (1999) (0)
- Branch-and-Sandwich: a deterministic global optimization algorithm for optimistic bilevel programming problems. Part II: Convergence analysis and numerical results (2014) (0)
- New bounding schemes and algorithmic options for the Branch-and-Sandwich algorithm (2020) (0)
- Semidefinite Programming Problems (1999) (0)
- Twice Continuously Differentiable NLP Problems (1999) (0)
- Supporting Information For Computer-Aided Molecular Design and Selection of CO 2 Capture Solvents Considering Thermodynamics , Reactivity and Sustainability (2016) (0)
- A combined theoretical and experimental investigation into the high-throughput screening of cocrystal coformers (2019) (0)
- Robust algorithms for the calculation of phase (2010) (0)
- MINLP: Global Optimization with alphaBB (2009) (0)
- Global Optimization of Planar Multilayered Dielectric Structures (2009) (0)
- Dataset of some transition state problems solved with a deterministic global optimization method. (2016) (0)
- 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 (2015) (0)
- Chapter 3 – A method for the systematic estimation of parameters for a stochastic reptation model (2006) (0)
- Prediction of Thermophysical Properties of Deep Eutectic Solvents Using the SAFT-γ Mie Group-Contribution Equation of State (2018) (0)
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