David H. Bowskill
Imperial College London
8 Papers
8 Citations
David H. Bowskill is an academic researcher from Imperial College London. The author has contributed to research in topics: Crystal structure prediction & Crystal structure. The author has an hindex of 4, co-authored 7 publications.
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Papers
Crystal Structure Prediction Methods for Organic Molecules: State of the Art.
David H. Bowskill,Isaac J. Sugden,Stefanos Konstantinopoulos,Claire S. Adjiman,Constantinos C. Pantelides +4 more
TL;DR: A review of the state of the art in general-purpose methodologies for CSP, placing them within a common framework that highlights both their similarities and their differences, can be found in this article.
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Efficient Screening for Ternary Molecular Ionic Cocrystals Using a Complementary Mechanosynthesis and Computational Structure Prediction Approach.
Abeer F. Shunnar,Bhausaheb Dhokale,Durga Prasad Karothu,David H. Bowskill,Isaac J. Sugden,Hector H. Hernandez,Panče Naumov,Sharmarke Mohamed +7 more
TL;DR: It is demonstrated here that mechanochemical ball milling is a versatile technique for the reproducible synthesis of ternary molecular ICCs in less than 30 min of grinding with or without solvent, and suggested that a combined mechanosynthesis and CSP approach could be used to target the synthesis of higher‐order Molecular ICCs with functional properties.
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Efficient Screening of Coformers for Active Pharmaceutical Ingredient Cocrystallization
Isaac J. Sugden,Doris E. Braun,David H. Bowskill,Claire S. Adjiman,Constantinos C. Pantelides +4 more
TL;DR: In this article , a high-throughput computational approach is proposed to identify API/coformer pairs that are unlikely to lead to experimentally observable cocrystals and can therefore be eliminated with only a brief experimental check from any experimental investigation.
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Beyond a heuristic analysis: integration of process and working-fluid design for organic Rankine cycles
David H. Bowskill,Uku Erik Tropp,Smitha Gopinath,George Jackson,Amparo Galindo,Claire S. Adjiman +5 more
- 24 Feb 2020
TL;DR: A robust computer-aided molecular and process design technique for the determination of pure-component working fluids based on ORC performance metrics is presented, and optimal fluids identified include low molecular weight alkanes, alkenes, and ethers, such as propane, pent-1,4-diene and methyl ethyl ether.
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Can solvated intermediates inform us about nucleation pathways? The case of β-pABA
Aurora J. Cruz-Cabeza,E. Taylor,Isaac J. Sugden,David H. Bowskill,Sarah E. Wright,H. Abdullahi,D. Tulegenov,Ghazala Sadiq,Roger J. Davey +8 more
TL;DR: In this paper, an in-depth crystallographic analysis related to the nucleation of the α and β polymorphs of para-aminobenzoic acid in an attempt to reveal the pathways leading to the two forms.