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The Journal of Chemical Physics|July 23, 2026
Practical considerations for finite concentration molecular dynamics simulationsXiaoxu Ruan, Fabrice Roncoroni, David Prendergast, et al.
Physical Chemistry Chemical Physics : PCCP|February 26, 2015
X-ray spectroscopy as a probe for lithium polysulfide radicalsTod A Pascal, C D Pemmaraju, David Prendergast
Physical Chemistry Chemical Physics : PCCP|May 9, 2023
Unsupervised learning of representative local atomic arrangements in molecular dynamics dataFabrice Roncoroni, Ana Sanz-Matias, Siddharth Sundararaman, et al.
Nature Communications|February 15, 2024
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4)2 in THFAna Sanz Matias, Fabrice Roncoroni, Siddharth Sundararaman, et al.
Frontiers in Chemistry|May 13, 2024
Solar enhanced oxygen evolution reaction with transition metal tellurideHarish Singh, Taishi Higuchi-Roos, Fabrice Roncoroni, et al.
The Journal of Chemical Physics|June 24, 2019
The purported square ice in bilayer graphene is a nanoscale, monolayer objectTod A Pascal, Craig P Schwartz, Keith V Lawler, et al.
The Journal of Chemical Physics|February 25, 2026
Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfacesFabrice Roncoroni, Abrar Faiyad, Yichen Li, et al.
Physical Chemistry Chemical Physics : PCCP|December 17, 2016
Thermodynamic origins of the solvent-dependent stability of lithium polysulfides from first principlesTod A Pascal, Kevin H Wujcik, Dunyang Rita Wang, et al.
Nano Letters|August 4, 2015
Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow BatteriesChangyi Li, Ashleigh L Ward, Sean E Doris, et al.
ACS Applied Nano Materials|July 3, 2025
Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid NanocrystalsXubo Luo, Fabrice Roncoroni, Tianyi Yu, et al.
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