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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 2017Show all

6 papers · 1 filter

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.stat-mech2017★ 1 cited

Inverse Ising inference by combining Ornstein-Zernike theory with deep learning

Soma Turi, Alpha A. Lee

Inferring a generative model from data is a fundamental problem in machine learning. It is well-known that the Ising model is the maximum entropy model for binary variables which r…

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…

physics.data-an2017★ 6 cited

Optimal design of experiments by combining coarse and fine measurements

Alpha A. Lee, Michael P. Brenner, Lucy J. Colwell

In many contexts it is extremely costly to perform enough high quality experimental measurements to accurately parameterize a predictive quantitative model. However, it is often mu…

physics.chem-ph2017★ 182 cited

Underscreening in concentrated electrolytes

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

Screening of a surface charge by electrolyte and the resulting interaction energy between charged objects is of fundamental importance in scenarios from bio-molecular interactions…

physics.flu-dyn2017★ 8 cited

Controlling turbulent drag across electrolytes using electric fields

Rodolfo Ostilla-Mónico, Alpha A. Lee

Reversible in operando control of friction is an unsolved challenge crucial to industrial tribology. Recent studies show that at low sliding velocities, this control can be achieve…