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ORCIDAdri C. T. van Duin
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Journal Articles
- 2022
[j6]Mert Y. Sengul
, Yao Song, Linglin He, Adri C. T. van Duin, Ying Hung, Tirthankar Dasgupta:
CLAIMED: A CLAssification-Incorporated Minimum Energy Design to Explore a Multivariate Response Surface With Feasibility Constraints. IEEE Trans Autom. Sci. Eng. 19(4): 2862-2873 (2022)- 2014
- [j5]Matthew L. Rossi, Christopher D. Taylor, Adri C. T. van Duin:
Reduced yield stress for zirconium exposed to iodine: reactive force field simulation. Adv. Model. Simul. Eng. Sci. 1(1): 19:1-19:8 (2014) - 2013
- [j4]Takahiro Yamada, Donald K. Phelps, Adri C. T. van Duin:
First principle and ReaxFF molecular dynamics investigations of formaldehyde dissociation on Fe(100) surface. J. Comput. Chem. 34(23): 1982-1996 (2013) - [j3]Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke:
Global optimization of parameters in the reactive force field ReaxFF for SiOH. J. Comput. Chem. 34(25): 2178-2189 (2013) - 2012
- [j2]Hasan Metin Aktulga, Sagar Pandit, Adri C. T. van Duin, Ananth Grama:
Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques. SIAM J. Sci. Comput. 34(1) (2012) - 2008
- [j1]Aiichiro Nakano, Rajiv K. Kalia, Ken-ichi Nomura, Ashish Sharma, Priya Vashishta, Fuyuki Shimojo, Adri C. T. van Duin, William A. Goddard, Rupak Biswas, Deepak Srivastava, Lin H. Yang:
De Novo Ultrascale Atomistic Simulations On High-End Parallel Supercomputers. Int. J. High Perform. Comput. Appl. 22(1): 113-128 (2008)
Informal and Other Publications
- 2020
- [i2]Yao Song, Mert Y. Sengul, Linglin He, Adri C. T. van Duin, Ying Hung, Tirthankar Dasgupta:
CLAIMED: A CLAssification-Incorporated Minimum Energy Design to explore a multivariate response surface with feasibility constraints. CoRR abs/2006.05021 (2020) - 2019
- [i1]Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke:
Global optimization of parameters in the reactive force field ReaxFF for SiOH. CoRR abs/1909.06876 (2019)
Coauthor Index
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