Molecular dynamics simulations of water/mucus partition coefficients for feeding stimulants in fish and the implications for olfaction.

by Alex D Rygg, Adri C T van Duin, Brent A Craven
Published 2013-01-01

Trajectories of Graphitizable Anthracene Coke and Non-Graphitizable Sucrose Char during the Earliest Stages of Annealing by Rapid CO2 Laser Heating

by Joseph P. Abrahamson, Abhishek Jain, Adri C. T. van Duin, Randy L. Vander Wal
Published 2018-06-01

Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations

by Dengpan Dong, Weiwei Zhang, Adam Barnett, Jibao Lu, Adri C. T. van Duin, Valeria Molinero, Dmitry Bedrov
Published 2018-11-01

Crenarchaeol

by Jaap S.Sinninghe Damsté, Stefan Schouten, Ellen C. Hopmans, Adri C.T. van Duin, Jan A.J. Geenevasen
Published 2002-10-01

INDEEDopt: a deep learning-based ReaxFF parameterization framework

by Mert Y. Sengul, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C. T. van Duin
Published 2021-05-01

Atomistic-Scale Simulations on Graphene Bending Near a Copper Surface

by Malgorzata Kowalik, Md Jamil Hossain, Aditya Lele, Wenbo Zhu, Riju Banerjee, Tomotaroh Granzier-Nakajima, Mauricio Terrones, Eric W. Hudson, Adri C. T. van Duin
Published 2021-02-01

Roadmap for densification in cold sintering: Chemical pathways

by Arnaud Ndayishimiye, Mert Y. Sengul, Takao Sada, Sinan Dursun, Sun Hwi Bang, Zane A. Grady, Kosuke Tsuji, Shuichi Funahashi, Adri C.T. van Duin, Clive A. Randall
Published 2020-07-01

An Atomistic Carbide-Derived Carbon Model Generated Using ReaxFF-Based Quenched Molecular Dynamics

by Matthew W. Thompson, Boris Dyatkin, Hsiu-Wen Wang, C. Heath Turner, Xiahan Sang, Raymond R. Unocic, Christopher R. Iacovella, Yury Gogotsi, Adri C. T. van Duin, Peter T. Cummings
Published 2017-10-01

In situ atomistic insight into the growth mechanisms of single layer 2D transition metal carbides

by Xiahan Sang, Yu Xie, Dundar E. Yilmaz, Roghayyeh Lotfi, Mohamed Alhabeb, Alireza Ostadhossein, Babak Anasori, Weiwei Sun, Xufan Li, Kai Xiao, Paul R. C. Kent, Adri C. T. van Duin, Yury Gogotsi, Raymond R. Unocic
Published 2018-06-01