Loading…
Loading…
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
Ong, Shyue Ping, Richards, William Davidson, Jain, Anubhav, Hautier, Geoffroy, Kocher, Michael, Cholia, Shreyas, Gunter, Dan, Chevrier, Vincent L., Persson, Kristin A., Ceder, Gerbrand
Published in Computational materials science (01.02.2013)
Published in Computational materials science (01.02.2013)
Get full text
Journal Article
Loading…
Multi-fidelity machine learning models for accurate bandgap predictions of solids
Pilania, G., Gubernatis, J.E., Lookman, T.
Published in Computational materials science (01.03.2017)
Published in Computational materials science (01.03.2017)
Get full text
Journal Article
Loading…
Loading…
Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps
Guénolé, Julien, Nöhring, Wolfram G., Vaid, Aviral, Houllé, Frédéric, Xie, Zhuocheng, Prakash, Aruna, Bitzek, Erik
Published in Computational materials science (01.04.2020)
Published in Computational materials science (01.04.2020)
Get full text
Journal Article
Loading…
Loading…
Machine learning for phase selection in multi-principal element alloys
Islam, Nusrat, Huang, Wenjiang, Zhuang, Houlong L.
Published in Computational materials science (01.07.2018)
Published in Computational materials science (01.07.2018)
Get full text
Journal Article
Loading…
Simulation of metal additive manufacturing microstructures using kinetic Monte Carlo
Rodgers, Theron M., Madison, Jonathan D., Tikare, Veena
Published in Computational materials science (01.07.2017)
Published in Computational materials science (01.07.2017)
Get full text
Journal Article
Loading…
ALKEMIE: An intelligent computational platform for accelerating materials discovery and design
Wang, Guanjie, Peng, Liyu, Li, Kaiqi, Zhu, Linggang, Zhou, Jian, Miao, Naihua, Sun, Zhimei
Published in Computational materials science (01.01.2021)
Published in Computational materials science (01.01.2021)
Get full text
Journal Article
Loading…
Loading…
Loading…
A review on two-dimensional (2D) magnetic materials and their potential applications in spintronics and spin-caloritronic
Elahi, Ehsan, Dastgeer, Ghulam, Nazir, Ghazanfar, Nisar, Sobia, Bashir, Mudasar, Akhter Qureshi, Haroon, Kim, Deok-kee, Aziz, Jamal, Aslam, Muhammad, Hussain, Kashif, Assiri, Mohammed A., Imran, Muhammad
Published in Computational materials science (01.10.2022)
Published in Computational materials science (01.10.2022)
Get full text
Journal Article
Loading…
Image driven machine learning methods for microstructure recognition
Chowdhury, Aritra, Kautz, Elizabeth, Yener, Bülent, Lewis, Daniel
Published in Computational materials science (01.10.2016)
Published in Computational materials science (01.10.2016)
Get full text
Journal Article
Loading…
A steel property optimization model based on the XGBoost algorithm and improved PSO
Song, Kai, Yan, Feng, Ding, Ting, Gao, Liang, Lu, Songbao
Published in Computational materials science (01.03.2020)
Published in Computational materials science (01.03.2020)
Get full text
Journal Article
Loading…
Simulating the radiation shielding properties of TeO2–Na2O–TiO glass system using PHITS Monte Carlo code
Alzahrani, Jamila S., Alothman, Miysoon A., Eke, Canel, Al-Ghamdi, Hanan, Aloraini, Dalal Abdulldh, Al-Buriahi, M.S.
Published in Computational materials science (01.08.2021)
Published in Computational materials science (01.08.2021)
Get full text
Journal Article
Loading…
Mesoscale modelling of selective laser melting: Thermal fluid dynamics and microstructural evolution
Panwisawas, Chinnapat, Qiu, Chunlei, Anderson, Magnus J., Sovani, Yogesh, Turner, Richard P., Attallah, Moataz M., Brooks, Jeffery W., Basoalto, Hector C.
Published in Computational materials science (01.01.2017)
Published in Computational materials science (01.01.2017)
Get full text
Journal Article
Loading…
A novel two-dimensional mechanical metamaterial with negative Poisson’s ratio
Wang, Hui, Zhang, Yuxuan, Lin, Wanqing, Qin, Qing-Hua
Published in Computational materials science (01.01.2020)
Published in Computational materials science (01.01.2020)
Get full text
Journal Article
Loading…
The AFLOW Library of Crystallographic Prototypes: Part 1
Mehl, Michael J., Hicks, David, Toher, Cormac, Levy, Ohad, Hanson, Robert M., Hart, Gus, Curtarolo, Stefano
Published in Computational materials science (01.08.2017)
Published in Computational materials science (01.08.2017)
Get full text
Journal Article
Loading…
Elastic constants of cubic crystals
Jamal, M., Jalali Asadabadi, S., Ahmad, Iftikhar, Rahnamaye Aliabad, H.A.
Published in Computational materials science (01.12.2014)
Published in Computational materials science (01.12.2014)
Get full text
Journal Article