Publications

2020
Wang W, Kang Y, Peelaers H, Krishnaswamy K, Van de Walle CG.  2020.  First-principles study of transport in WO 3. Physical Review B. 101:045116.
Mu S, Wang M, Peelaers H, Van de Walle CG.  2020.  First-principles surface energies for monoclinic Ga2O3 and Al2O3 and consequences for cracking of (Al x Ga1- x) 2O3. APL Materials. 8:091105.
Xu S, Su Y, Smith LTW, Beyerlein IJ.  2020.  Frank-Read source operation in six body-centered cubic refractory metals. Journal of the Mechanics and Physics of Solids. :104017.
Khan SA, Vandervelden CA, Scott SL, Peters B.  2020.  Grafting metal complexes onto amorphous supports: from elementary steps to catalyst site populations via kernel regression. Reaction Chemistry & Engineering. 5:66–76.
Arsiccio A, McCarty J, Pisano R, Shea J-E.  2020.  Heightened Cold-Denaturation of Proteins at the Ice-Water Interface. Journal of the American Chemical Society.
Åkesson T, Blinov N, Bryngemark L, Colegrove O, Collura G, Dukes C, Dutta V, Echenard B, Eichlersmith T, Hiltbrand J et al..  2020.  A high efficiency photon veto for the Light Dark Matter eXperiment. Journal of High Energy Physics. 2020:1–35.
Dally RL, Heng, JR A, Keselman A, Bordelon MM, Stone MB, Balents L, Wilson SD.  2020.  High order magnon bound states in the quasi-one-dimensional antiferromagnet $$\backslash$alpha $-NaMnO $ _2$. arXiv preprint arXiv:2001.07300.
Hejazi K, Chen X, Balents L.  2020.  Hybrid Wannier Chern bands in magic angle twisted bilayer graphene and the quantized anomalous Hall effect. arXiv preprint arXiv:2007.00134.
Ding Z, Pascal E, De Graef M.  2020.  Indexing of electron back-scatter diffraction patterns using a convolutional neural network. Acta Materialia. 199:370–382.
Rowberg AJE, Krishnaswamy K, Van de Walle CG.  2020.  Inflection points in the conduction-band structure of BaSn O 3. Physical Review B. 102:115201.
Eggeler YM, Levin EE, Wang F, Kitchaev DA, Van der Ven A, Seshadri R, Pollock TM, Gianola DS.  2020.  Interfacial structure and strain accommodation in two-phase Nb Co 1.2 Sn Heusler intermetallics. Physical Review Materials. 4:093601.
Parto K, Banerjee K, Moody G.  2020.  Irradiation of Nanostrained Monolayer WSe $ _2 $ for Site-Controlled Single-Photon Emission up to 150 K. arXiv preprint arXiv:2009.07315.
Charest N, Tro M, Bowers MT, Shea J-E.  2020.  Latent Models of Molecular Dynamics Data: Automatic Order Parameter Generation for Peptide Fibrillization. The Journal of Physical Chemistry B. 124:8012–8022.
Shen K, Sherck N, Nguyen M, Yoo B, Köhler S, Speros J, Delaney KT, Fredrickson GH, M Shell S.  2020.  Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information. The Journal of Chemical Physics. 153:154116.
Natarajan ARaju, Van der Ven A.  2020.  Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys. arXiv preprint arXiv:2001.06912.
Xu S, Su Y, Jian W-R, Beyerlein IJ.  2020.  Local slip resistances in equal-molar MoNbTi multi-principal element alloy. Acta Materialia.
Kitchaev DA, Schueller EC, Van der Ven A.  2020.  Mapping skyrmion stability in uniaxial lacunar spinel magnets from first principles. Physical Review B. 101:054409.
Garcia JUlric, Iwama T, Chan EY, Tree DR, Delaney KT, Fredrickson GH.  2020.  Mechanisms of Asymmetric Membrane Formation in Nonsolvent-Induced Phase Separation. ACS Macro Letters. 9:1617–1624.
Patterson AL, Yu B, Danielsen SPO, Davidson EC, Fredrickson GH, Segalman RA.  2020.  Monomer Sequence Effects on Interfacial Width and Mixing in Self-Assembled Diblock Copolymers. Macromolecules.
Wang F, Balbus GH, Xu S, Su Y, Shin J, Rottmann PF, Knipling KE, Stinville J-C, Mills LH, Senkov ON et al..  2020.  Multiplicity of dislocation pathways in a refractory multiprincipal element alloy. Science. 370:95–101.
Gupta A, Sezer ADundar, Madhow U.  2020.  Multi-sensor Spatial Association using Joint Range-Doppler Features. arXiv preprint arXiv:2007.05907.
Akporji N, Thakore RR, Cortes-Clerget M, Andersen J, Landstrom E, Aue DH, Gallou F, Lipshutz BH.  2020.  N 2 Phos–an easily made, highly effective ligand designed for ppm level Pd-catalyzed Suzuki–Miyaura cross couplings in water. Chemical Science.
Kupfer T, Bauer EB, Burdge KB, van Roestel J, Bellm EC, Fuller J, Hermes JJ, Marsh TR, Bildsten L, Kulkarni SR et al..  2020.  A New Class of Roche Lobe–filling Hot Subdwarf Binaries. The Astrophysical Journal Letters. 898:L25.
Nakayama H, Schneider JA, Faust M, Wang H, de Alaniz JRead, Chabinyc ML.  2020.  A new family of liquid and solid guanidine-based n-type dopants for solution-processed perovskite solar cells. Materials Chemistry Frontiers.
Zhao Y, Tilbury CJ, Landis S, Sun Y, Li J, Zhu P, Doherty MF.  2020.  A new software framework for implementing crystal growth models to materials of any crystallographic complexity. Crystal Growth & Design.

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