The Cox Group
@thecoxgroup.bsky.social
We are the Cox Research Group! We are a computational and theoretical chemistry group in the Department of Chemistry, Durham University. See more at https://coxgroup.github.io/
Huge congratulations to our Master's student Katie Zhou on graduating her undergrad studies with flying colors! 🎓🍾
We’re so proud of all she’s achieved and wish her the very best as she starts her PhD journey in Liverpool!
We’re so proud of all she’s achieved and wish her the very best as she starts her PhD journey in Liverpool!
July 7, 2025 at 6:41 AM
Huge congratulations to our Master's student Katie Zhou on graduating her undergrad studies with flying colors! 🎓🍾
We’re so proud of all she’s achieved and wish her the very best as she starts her PhD journey in Liverpool!
We’re so proud of all she’s achieved and wish her the very best as she starts her PhD journey in Liverpool!
Our approach outperforms traditional theories, captures non-local structure, scales beyond training & maintains thermodynamic consistency. It makes cDFT practical for electrolytes and pushes it toward realistic chemical systems—like salts & water.
#multiscalemodelling #AI #machinelearning #physics
#multiscalemodelling #AI #machinelearning #physics
April 13, 2025 at 10:58 AM
Our approach outperforms traditional theories, captures non-local structure, scales beyond training & maintains thermodynamic consistency. It makes cDFT practical for electrolytes and pushes it toward realistic chemical systems—like salts & water.
#multiscalemodelling #AI #machinelearning #physics
#multiscalemodelling #AI #machinelearning #physics
Accurately modeling ionic fluids remains a century-old challenge due to competing long-range Coulomb forces & short-range sterics, beyond Debye-Hückel or Poisson-Boltzmann. We combine liquid state theory & a ML-based framework for simple liquids to learn free energy functionals for electrolytes.
April 13, 2025 at 10:58 AM
Accurately modeling ionic fluids remains a century-old challenge due to competing long-range Coulomb forces & short-range sterics, beyond Debye-Hückel or Poisson-Boltzmann. We combine liquid state theory & a ML-based framework for simple liquids to learn free energy functionals for electrolytes.
Excited to see our work "Learning classical density functionals for ionic fluids" led by @annatbui.bsky.social in PRL!
🧪 #ML + liquid-state-theory = electric double layers, thermodynamic consistency, scale-up to large systems — at a fraction of the cost
🔗 doi.org/10.1103/PhysRevLett.134.148001
🧪 #ML + liquid-state-theory = electric double layers, thermodynamic consistency, scale-up to large systems — at a fraction of the cost
🔗 doi.org/10.1103/PhysRevLett.134.148001
April 13, 2025 at 10:58 AM
Excited to see our work "Learning classical density functionals for ionic fluids" led by @annatbui.bsky.social in PRL!
🧪 #ML + liquid-state-theory = electric double layers, thermodynamic consistency, scale-up to large systems — at a fraction of the cost
🔗 doi.org/10.1103/PhysRevLett.134.148001
🧪 #ML + liquid-state-theory = electric double layers, thermodynamic consistency, scale-up to large systems — at a fraction of the cost
🔗 doi.org/10.1103/PhysRevLett.134.148001
We enjoyed our time as a group at #ManchesterMultiscale2025 last week!
Well done everyone on their posters 📈
Congrats to Connie for her poster prize 🏆
And well done to Anna @annatbui.bsky.social for her talk! 🎤
Well done everyone on their posters 📈
Congrats to Connie for her poster prize 🏆
And well done to Anna @annatbui.bsky.social for her talk! 🎤
April 11, 2025 at 4:17 PM
We enjoyed our time as a group at #ManchesterMultiscale2025 last week!
Well done everyone on their posters 📈
Congrats to Connie for her poster prize 🏆
And well done to Anna @annatbui.bsky.social for her talk! 🎤
Well done everyone on their posters 📈
Congrats to Connie for her poster prize 🏆
And well done to Anna @annatbui.bsky.social for her talk! 🎤
How to control fluids in exotic way? Via "dielectrocapillarity"!
Incorporating the latest developments in liquid state theory, simulations and deep learning, we uncover tunable fluid manipulation with electric field gradients.
Application: arxiv.org/abs/2503.09855
Theory: arxiv.org/abs/2503.09768
Incorporating the latest developments in liquid state theory, simulations and deep learning, we uncover tunable fluid manipulation with electric field gradients.
Application: arxiv.org/abs/2503.09855
Theory: arxiv.org/abs/2503.09768
March 14, 2025 at 10:31 AM
How to control fluids in exotic way? Via "dielectrocapillarity"!
Incorporating the latest developments in liquid state theory, simulations and deep learning, we uncover tunable fluid manipulation with electric field gradients.
Application: arxiv.org/abs/2503.09855
Theory: arxiv.org/abs/2503.09768
Incorporating the latest developments in liquid state theory, simulations and deep learning, we uncover tunable fluid manipulation with electric field gradients.
Application: arxiv.org/abs/2503.09855
Theory: arxiv.org/abs/2503.09768
It's a historic day in the group: After years of trying to not clash, Dom and Steve have finally mind-synced! 👕👕
#OOTD
@dom-thomas.bsky.social
#OOTD
@dom-thomas.bsky.social
February 19, 2025 at 3:28 PM
It's a historic day in the group: After years of trying to not clash, Dom and Steve have finally mind-synced! 👕👕
#OOTD
@dom-thomas.bsky.social
#OOTD
@dom-thomas.bsky.social