| Flaw insensitive fracture in nanocrystalline graphene T Zhang, X Li, S Kadkhodaei, H Gao Nano letters 12 (9), 4605-4610, 2012 | 251 | 2012 |
| Software tools for high-throughput CALPHAD from first-principles data A van de Walle, R Sun, QJ Hong, S Kadkhodaei Calphad 58, 70-81, 2017 | 73 | 2017 |
| The free energy of mechanically unstable phases A Van De Walle, Q Hong, S Kadkhodaei, R Sun Nature communications 6 (1), 7559, 2015 | 68 | 2015 |
| Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium S Kadkhodaei, QJ Hong, A Van De Walle Physical Review B 95 (6), 064101, 2017 | 45 | 2017 |
| First-principles calculations of thermal properties of the mechanically unstable phases of the PtTi and NiTi shape memory alloys S Kadkhodaei, A van de Walle Acta Materialia 147, 296-303, 2018 | 33 | 2018 |
| Predicting synthesizability of crystalline materials via deep learning A Davariashtiyani, Z Kadkhodaie, S Kadkhodaei Communications Materials 2 (1), 115, 2021 | 26 | 2021 |
| Phonon-assisted diffusion in bcc phase of titanium and zirconium from first principles S Kadkhodaei, A Davariashtiyani Physical Review Materials 4 (4), 043802, 2020 | 17 | 2020 |
| Cluster expansion of alloy theory: a review of historical development and modern innovations S Kadkhodaei, JA Muñoz JOM 73 (11), 3326-3346, 2021 | 15 | 2021 |
| Epicycle method for elasticity limit calculations A Van De Walle, S Kadkhodaei, R Sun, QJ Hong Physical Review B 95 (14), 144113, 2017 | 12 | 2017 |
| Software tools for thermodynamic calculation of mechanically unstable phases from first-principles data S Kadkhodaei, A van de Walle Computer Physics Communications 246, 106712, 2020 | 11 | 2020 |
| A simple local expression for the prefactor in transition state theory S Kadkhodaei, A van de Walle The Journal of Chemical Physics 150 (14), 2019 | 10 | 2019 |
| Computational design of corrosion-resistant and wear-resistant titanium alloys for orthopedic implants N Siony, L Vuong, O Lundaajamts, S Kadkhodaei Materials Today Communications 33, 104465, 2022 | 9 | 2022 |
| Understanding the role of anharmonic phonons in diffusion of bcc metals S Fattahpour, A Davariashtiyani, S Kadkhodaei Physical Review Materials 6 (2), 023803, 2022 | 4 | 2022 |
| Formation energy prediction of crystalline compounds using deep convolutional network learning on voxel image representation A Davariashtiyani, S Kadkhodaei Communications Materials 4 (1), 105, 2023 | 1 | 2023 |
| Voxel Image of Crystals for High-Throughput Materials Screening: Formation Energy Prediction by a Deep Convolutional Network A Davariashtiyani, S Kadkhodaei | 1 | 2023 |
| Heat radiation mitigation in rare-earth pyrosilicate composites: A first principles investigation of refractive index mismatch S Kadkhodaei, S Fattahpour, A Davariashtiyani Ceramics International, 2024 | | 2024 |
| Improving ab initio diffusion calculations in materials through Gaussian process regression S Fattahpour, S Kadkhodaei Physical Review Materials 8 (1), 013804, 2024 | | 2024 |
| Enhancing ab initio diffusion calculations in materials through Gaussian process regression S Fattahpour, S Kadkhodaei arXiv preprint arXiv:2307.01407, 2023 | | 2023 |
| Zirconium Machine Learned Potential Trained on a Euclidean Neural Network V Meraz, S Gomez, V Arteaga Muniz, A de La Rocha Galán, T Smidt, ... APS March Meeting Abstracts 2022, Z32. 005, 2022 | | 2022 |
| Phonon-assisted diffusion in bcc phase of titanium from first-principles S Kadkhodaei, A Davariashtiyani arXiv, arXiv: 1910.05806, 2019 | | 2019 |
Axel van de WalleProfessor of Engineering, Brown UniversityVerified email at brown.edu
