Claire S Adjiman

15PUBLICATIONS
71CO-AUTHORS
Catalysis and mechanisms of reactionsTheoretical quantum chemistryWater treatment processesBiomolecular modelling and designStructural properties of condensed matter
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Publications (15)

|Jun 29, 2026
Investigating Polyethylene Solubility for Solvent-Based Recycling: Experiments and SAFT‑γ Mie Predictions.

|May 14, 2026
Generation and benchmarking of a diverse reaction database of quantum mechanical liquid-phase activation Gibbs free energies.

|Sep 05, 2025
Design of Surfactant Molecules Under Performance Constraints.

Sofía González-Núñez, Zeynep Sumer, Carlos Amador

|Jan 28, 2025
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groups.

Isaac J Sugden, David H Bowskill, Benjamin I Tan

|Nov 25, 2024
Predicting the Solubility of Amino Acids and Peptides with the SAFT-γ Mie Approach: Neutral and Charged Models.

Ahmed Alyazidi, Shubhani Paliwal, Felipe A Perdomo

|Nov 12, 2024
Large-Scale Parameter Estimation for Crystal Structure Prediction. Part 1: Dataset, Methodology, and Implementation.

D H Bowskill, B I Tan, A Keates

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Frequent Collaborators

8 joint publications

Amparo Galindo

6 joint publications

George Jackson

4 joint publications

Isaac J Sugden

2 joint publications

Benjamin I Tan