| Nondilute diffusion from first principles: Li diffusion in Li_xTiS_2 A Van der Ven, JC Thomas, Q Xu, B Swoboda, D Morgan Physical Review B 78 (10), 104306, 2008 | 292 | 2008 |
| Linking the electronic structure of solids to their thermodynamic and kinetic properties A Van der Ven, JC Thomas, Q Xu, J Bhattacharya Mathematics and computers in simulation 80 (7), 1393-1410, 2010 | 197 | 2010 |
| Finite-temperature properties of strongly anharmonic and mechanically unstable crystal phases from first principles JC Thomas, A Van der Ven Physical Review B 88 (21), 214111, 2013 | 175 | 2013 |
| Designing the next generation high capacity battery electrodes HC Yu, C Ling, J Bhattacharya, JC Thomas, K Thornton, A Van der Ven Energy & Environmental Science 7 (5), 1760-1768, 2014 | 121 | 2014 |
| First-principles statistical mechanics of multicomponent crystals A Van der Ven, JC Thomas, B Puchala, AR Natarajan Annual Review of Materials Research 48, 27-55, 2018 | 114 | 2018 |
| Low-temperature structural and transport anomalies in Cu 2 Se H Chi, H Kim, JC Thomas, G Shi, K Sun, M Abeykoon, ES Bozin, X Shi, ... Physical Review B 89 (19), 195209, 2014 | 82 | 2014 |
| Structural order-disorder transitions and phonon conductivity of partially filled skutterudites H Kim, M Kaviany, JC Thomas, A Van der Ven, C Uher, B Huang Physical review letters 105 (26), 265901, 2010 | 73 | 2010 |
| Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions AR Natarajan, JC Thomas, B Puchala, A Van der Ven Physical Review B 96 (13), 134204, 2017 | 45 | 2017 |
| Prisms: An integrated, open-source framework for accelerating predictive structural materials science LK Aagesen, JF Adams, JE Allison, WB Andrews, V Araullo-Peters, ... JOM 70, 2298-2314, 2018 | 44 | 2018 |
| The exploration of nonlinear elasticity and its efficient parameterization for crystalline materials JC Thomas, A Van der Ven Journal of the Mechanics and Physics of Solids 107, 76-95, 2017 | 43 | 2017 |
| Configuring pnicogen rings in skutterudites for low phonon conductivity H Chi, H Kim, JC Thomas, X Su, S Stackhouse, M Kaviany, A Van der Ven, ... Physical Review B 86 (19), 195209, 2012 | 40 | 2012 |
| Finite-temperature simulation of anharmonicity and octahedral tilting transitions in halide perovskites JS Bechtel, JC Thomas, A Van der Ven Physical Review Materials 3 (11), 113605, 2019 | 36 | 2019 |
| Surface structure of bismuth terminated GaAs surfaces grown with molecular beam epitaxy A Duzik, JC Thomas, JM Millunchick, J Lång, MPJ Punkkinen, ... Surface Science 606 (15-16), 1203-1207, 2012 | 33 | 2012 |
| Elastic properties and stress-temperature phase diagrams of high-temperature phases with low-temperature lattice instabilities JC Thomas, A Van der Ven Physical Review B 90 (22), 224105, 2014 | 30 | 2014 |
| Order-disorder versus displacive transitions in Jahn-Teller active layered materials MD Radin, JC Thomas, A Van der Ven Physical Review Materials 4 (4), 043601, 2020 | 27 | 2020 |
| Surface reconstruction stability and configurational disorder on Bi-terminated GaAs (001) A Duzik, JC Thomas, A van der Ven, JM Millunchick Physical Review B 87 (3), 035313, 2013 | 27 | 2013 |
| Systematic approach for determination of equilibrium atomic surface structure JC Thomas, NA Modine, JM Millunchick, A Van der Ven Physical Review B 82 (16), 165434, 2010 | 26 | 2010 |
| Comparing crystal structures with symmetry and geometry JC Thomas, AR Natarajan, A Van der Ven npj Computational Materials 7 (1), 164, 2021 | 23 | 2021 |
| Effects of strain on the stability of tetragonal ZrO2 MH Chen, JC Thomas, AR Natarajan, A Van der Ven Physical Review B 94, 054108, 2016 | 23 | 2016 |
| Integrated computational modeling of water side corrosion in zirconium metal clad under nominal LWR operating conditions A Aryanfar, J Thomas, A Van der Ven, D Xu, M Youssef, J Yang, B Yildiz, ... Jom 68, 2900-2911, 2016 | 20 | 2016 |
Anton Van der VenUniversity of California Santa BarbaraVerified email at engineering.ucsb.edu
