Adri C. T. van Duin

Publication Activity (10 Years)

Years Active: 2008-2022
Publications (10 Years): 3

Top Topics

Parameter Selection

Global Optimization

Response Surface

Top Venues

J. Comput. Chem.

Adv. Model. Simul. Eng. Sci.

IEEE Trans Autom. Sci. Eng.

Publications

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) (2022)
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 (2020)
Henrik R. Larsson, Adri C. T. van Duin, Bernd Hartke
Global optimization of parameters in the reactive force field ReaxFF for SiOH. CoRR (2019)
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) (2014)
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) (2013)
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) (2013)
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)
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) (2008)