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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)

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|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

1 joint publications

Boryann Liaw

1 joint publications

Kevin L Gering

1 joint publications

Eric J Dufek

1 joint publications

Mohammad Ebrahim Izadi

1 joint publications

Ali Maghari

1 joint publications

Weiwei Zhang

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

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