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
249 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
206 2013 Octahedral tilting instabilities in inorganic halide perovskites JS Bechtel, A Van der Ven
Physical Review Materials 2 (2), 025401, 2018
99 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
37 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
36 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
18 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 