List of works - Jonathan K Whitmer

Accurate Determination of Cavitand Binding Free Energies via Unrestrained Advanced Sampling

scientific article published on 11 October 2019

Adaptive enhanced sampling by force-biasing using neural networks.

scientific article published in April 2018

Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations

scientific article published on 2 January 2018

Chirality-selected phase behaviour in ionic polypeptide complexes

scientific article

Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes

scientific article published on 10 February 2020

Correction: Quevillon, M.J., et al. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations. <i>Materials</i> 2018, <i>11</i>, 64

scientific article published on 30 December 2020

Dynamics and structure of colloidal aggregates under microchannel flow

scientific article published on 11 January 2019

Explicit Ion Effects on the Charge and Conformation of Weak Polyelectrolytes

scientific article published on 21 January 2019

Hierarchical Coupling of First Principles Molecular Dynamics with Advanced Sampling Methods

scientific article

Interfacial Tension of Polyelectrolyte Complex Coacervate Phases

article published in 2014

Learning free energy landscapes using artificial neural networks.

scientific article published in March 2018

SSAGES: Software Suite for Advanced General Ensemble Simulations

scientific article published in January 2018

Surveying the free energy landscape of clusters of attractive colloidal spheres

scientific article published on 01 April 2020

The Emergent Nematic Phase in Ionic Chromonic Liquid Crystals

scientific article published on 14 June 2017

The role of associative charging in the entropy - energy balance of polyelectrolyte complexes

scientific article published on 30 October 2018

Weak polyelectrolyte complexation driven by associative charging.