Developers

Dr. Nongnuch Artrith (Columbia University and Brookhaven National Laboratory, USA)
Dr. Alexander Urban (Columbia University, USA)

Further Contributions

Force Training (2019)
Developed in collaboration with April Cooper and Prof. Johannes Kästner at Stuttgart University, Germany.

Aenet-LAMMPS Interface (2019)
Michael S. Chen, Dr. Tobias Morawietz, and Prof. Thomas E. Markland, Stanford University, USA.

Aenet-PIMD Interface (2019)
Dr. Motoyuki Shiga and Dr. Yuki Nagai,
Center for Computational Science and E-Systems,
Japan Atomic Energy Agency, Chiba, Japan.
PIMD website

Aenet-DL_POLY Interface (2018)
Dr. Ivan Sukuba, Lei Chen, Prof. Michael Probst, and Dr. Alexander Kaiser, Innsbruck University, Austria. Repository: https://gitlab.com/AKaiser85/ann-interface-dl_poly-and-aenet

Chebyshev Descriptor for Many Chemical Species (2017-2018)
Developed in collaboration with Prof. Gerbrand Ceder’s group at UC Berkeley, USA.

Stress Tensor and Geometry/Cell Optimization (2017)
Woo Hyun Han (한우현) and Prof. Kee Joo Chang, Korea Advanced Institute of Science & Technology (KAIST), Daejeon, South Korea.

Stress Tensor (2016)
Mário Marques and Prof. Miguel Marques, Martin Luther Universität Halle-Wittenberg, Germany.

Acknowledgments

This work has been using the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1053575. Since 2019 ænet development has used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. Development has also been supported by the Department of Chemical Engineering at Columbia University.