| Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3 DH Fabini, G Laurita, JS Bechtel, CC Stoumpos, HA Evans, AG Kontos, ... Journal of the American Chemical Society 138 (36), 11820-11832, 2016 | 254 | 2016 |
| Efficient computational screening of organic polymer photovoltaics IY Kanal, SG Owens, JS Bechtel, GR Hutchison The journal of physical chemistry letters 4 (10), 1613-1623, 2013 | 210 | 2013 |
| Octahedral tilting instabilities in inorganic halide perovskites JS Bechtel, A Van der Ven Physical Review Materials 2 (2), 025401, 2018 | 102 | 2018 |
| Energy landscape of molecular motion in cubic methylammonium lead iodide from first-principles JS Bechtel, R Seshadri, A Van der Ven The Journal of Physical Chemistry C 120 (23), 12403-12410, 2016 | 79 | 2016 |
| Main-group halide semiconductors derived from perovskite: distinguishing chemical, structural, and electronic aspects DH Fabini, JG Labram, AJ Lehner, JS Bechtel, HA Evans, A Van der Ven, ... Inorganic Chemistry 56 (1), 11-25, 2017 | 56 | 2017 |
| First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions JS Bechtel, A Van der Ven Physical Review Materials 2 (4), 045401, 2018 | 40 | 2018 |
| 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 | 38 | 2019 |
| Machine learning the density functional theory potential energy surface for the inorganic halide perovskite JC Thomas, JS Bechtel, AR Natarajan, A Van der Ven Physical Review B 100 (13), 134101, 2019 | 19 | 2019 |
| Hamiltonians and order parameters for crystals of orientable molecules JC Thomas, JS Bechtel, A Van der Ven Physical Review B 98 (9), 094105, 2018 | 14 | 2018 |
| Sequence matters: Determining the sequence effect of electronic structure properties in π-conjugated polymers IY Kanal, JS Bechtel, GR Hutchison Sequence-Controlled Polymers: Synthesis, Self-Assembly, and Properties, 379-393, 2014 | 7 | 2014 |
| Ab Initio Statistical Mechanics of Halide Perovskites JS Bechtel University of California, Santa Barbara, 2019 | 1 | 2019 |
| Coupling between Octahedral Tilting, A-site Displacements, and Strain in Inorganic Halide Perovskites J Bechtel, A van der Ven APS March Meeting Abstracts 2018, Y12. 006, 2018 | 1 | 2018 |
| Machine learning the DFT potential energy surface for inorganic halide perovskite CsPbBr JC Thomas, JS Bechtel, AR Natarajan, A Van der Ven arXiv preprint arXiv:1907.12002, 2019 | | 2019 |
| Effective Hamiltonians to Describe Octahedral Tilt Instabilities in Halide Perovskites J Bechtel, J Thomas, A Van der Ven APS March Meeting Abstracts 2017, S32. 007, 2017 | | 2017 |
