Adri van Duin

8PUBLICATIONS
22CO-AUTHORS
Electrical energy generation (incl. renewables, excl. photovoltaics)Nanofabrication, growth and self assemblyNumerical modelling and mechanical characterisationRadiation and matterChemical thermodynamics and energetics
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Publications (8)

|Dec 09, 2021
Using C-DFT to develop an e-ReaxFF force field for acetophenone radical anion.

Katheryn A Penrod, Maximiliano Aldo Burgess, Dooman Akbarian

|Jan 15, 2021
Atomistic-scale insight into the polyethylene electrical breakdown: An eReaxFF molecular dynamics study.

Dooman Akbarian, Karthik Ganeshan, W H Hunter Woodward

|Sep 16, 2020
Development and initial applications of an e-ReaxFF description of Ag nanoclusters.

Benjamin Evangelisti, Kristen A Fichthorn, Adri C T van Duin

|Sep 03, 2020
Optimization of the Reax force field for the lithium-oxygen system using a high fidelity charge model.

Kurt A O'Hearn, Michael W Swift, Jialin Liu

|Jun 15, 2020
Reactive molecular dynamics simulation for isotope-exchange reactions in H/D systems: ReaxFF<sub>HD</sub> development.

Mohammad Ebrahim Izadi, Ali Maghari, Weiwei Zhang

|Jun 04, 2020
ReaxFF molecular dynamics simulations of electrolyte-water systems at supercritical temperature.

Nabankur Dasgupta, Yun Kyung Shin, Mark V Fedkin

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Frequent Collaborators

2 joint publications

W H Hunter Woodward

1 joint publications

Jean-Marc Leyssale

1 joint publications

Md Jamil Hossain

1 joint publications

Gorakh Pawar