activity
20112023
most citedMolecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Prediction

953 citations · 3.5k across the 41 of their papers we have counts for

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Showing cond-mat.softShow all

15 papers · 1 filter

cond-mat.soft2020★ 14 cited

Bayesian unsupervised learning reveals hidden structure in concentrated electrolytes

Penelope Jones, Fabian Coupette, Andreas Härtel +1

Electrolytes play an important role in a plethora of applications ranging from energy storage to biomaterials. Notwithstanding this, the structure of concentrated electrolytes rema…

cond-mat.soft2020

Machine learnt approximations to the bridge function yield improved closures for the Ornstein-Zernike equation

Rhys E. A. Goodall, Alpha A. Lee

A key challenge for soft materials design and coarse-graining simulations is determining interaction potentials between components that give rise to desired condensed-phase structu…

cond-mat.soft2018★ 11 cited

Casimir force in dense confined electrolytes

Alpha A. Lee, Jean-Pierre Hansen, Olivier Bernard +1

Understanding the force between charged surfaces immersed in an electrolyte solution is a classic problem in soft matter and liquid-state theory. Recent experiments showed that the…

cond-mat.soft2018★ 7 cited

Controlling polyelectrolyte adsorption onto carbon nanotubes by tuning ion-image interactions

Alpha A. Lee, Sarah V. Kostinski, Michael P. Brenner

Understanding and controlling polyelectrolyte adsorption onto carbon nanotubes is a fundamen- tal challenge in nanotechology. Polyelectrolytes have been shown to stabilise nanotube…

cond-mat.soft2017★ 239 cited

Scaling analysis of the screening length in concentrated electrolytes

Alpha A. Lee, Carla Perez-Martinez, Alexander M. Smith +1

The interaction between charged objects in an electrolyte solution is a fundamental question in soft matter physics. It is well-known that the electrostatic contribution to the int…

cond-mat.soft2017★ 81 cited

Switching the structural force in ionic liquid-solvent mixtures by varying composition

Alexander Smith, Alpha Lee, Susan Perkin

The structure and interactions in electrolytes at high concentration have implications from energy storage to biomolecular interactions. However many experimental observations are…

cond-mat.soft2016★ 30 cited

Hot Particles Attract in a Cold Bath

Hidenori Tanaka, Alpha A. Lee, Michael P. Brenner

Controlling interactions out of thermodynamic equilibrium is crucial for designing addressable and functional self-organizing structures. These active interactions also underpin co…

cond-mat.soft2016★ 616 cited

The Electrostatic Screening Length in Concentrated Electrolytes Increases with Concentration

Alexander M. Smith, Alpha A. Lee, Susan Perkin

According to classical electrolyte theories interactions in dilute (low ion density) electrolytes decay exponentially with distance, with the Debye screening length the characteris…

cond-mat.soft2015★ 11 cited

The role of extensibility in the birth of a ruck in a rug

Alpha A. Lee, Clément Le Gouellec, Dominic Vella

Everyday experience suggests that a `ruck' forms when the two ends of a heavy carpet or rug are brought closer together. Classical analysis, however, shows that the horizontal comp…

cond-mat.soft2015★ 30 cited

Degenerate Mobilities in Phase Field Models are Insufficient to Capture Surface Diffusion

Alpha A Lee, Andreas Münch, Endre Süli

Phase field models frequently provide insight to phase transitions, and are robust numerical tools to solve free boundary problems corresponding to the motion of interfaces. A body…

cond-mat.soft2015★ 17 cited

Fluctuation Spectra and Force Generation in Non-equilibrium Systems

Alpha A. Lee, Dominic Vella, John S. Wettlaufer

Many biological systems are appropriately viewed as passive inclusions immersed in an active bath: from proteins on active membranes to microscopic swimmers confined by boundaries.…

cond-mat.soft2015★ 66 cited

Dynamics of Ion Transport in Ionic Liquids

Alpha A. Lee, Svyatoslav Kondrat, Dominic Vella +1

A gap in understanding the link between continuum theories of ion transport in ionic liquids and the underlying microscopic dynamics has hindered the development of frameworks for…

cond-mat.soft2014★ 139 cited

Are Room Temperature Ionic Liquids Dilute Electrolytes?

Alpha A Lee, Dominic Vella, Susan Perkin +1

An important question in understanding the structure of ionic liquids is whether ions are truly "free" and mobile which would correspond to a concentrated ionic melt, or are rather…

cond-mat.soft2014★ 11 cited

Unravelling Nanoconfined Films of Ionic Liquids

Alpha A Lee, Dominic Vella, Susan Perkin +1

The confinement of an ionic liquid between charged solid surfaces is treated using an exactly solvable 1D Coulomb gas model. The theory highlights the importance of two dimensionle…

cond-mat.soft2012★ 2 cited

Electroactuation with Single Charge Carrier Ionomers

Alpha A. Lee, Ralph H. Colby, Alexei A. Kornyshev

A simple theory of electromechanical transduction for single-charge-carrier double-layer electroactuators is developed, in which the ion distribution and curvature are mutually cou…