List of works - Claire S. Adjiman

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

scientific article published in December 2007

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

scientific article published on 28 July 2008

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

scientific article published in October 2013

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

scientific article published on 29 March 2018

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

scientific article published on 01 May 2009

Computer-aided molecular design of solvents for accelerated reaction kinetics

scientific article published on 22 September 2013

Design of polyolefin reactor mixtures

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

scientific article

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

scientific article

Global optimization and modeling techniques for planar multilayered dielectric structures

scientific article published in August 2006

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

scientific article published in February 2014

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

scientific article published on 01 July 2020

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

scientific article published on 2 September 2011

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

scientific article

Solvents for ring-closing metathesis reactions

scientific article published on 28 April 2008

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

scientific article published on 08 April 2011

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

scientific article published on 16 November 2012

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

scientific article published on 17 November 2011

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.

scientific article published on 2 June 2011

List of works by Claire S. Adjiman

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

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

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

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

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

Computer-aided molecular design of solvents for accelerated reaction kinetics

Design of polyolefin reactor mixtures

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

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

Global optimization and modeling techniques for planar multilayered dielectric structures

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

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

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

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

Solvents for ring-closing metathesis reactions

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

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

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

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.