Publications

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2020
Khanna V, Monroe JI, Doherty MF, Peters B.  2020.  Performing solvation free energy calculations in LAMMPS using the decoupling approach. Journal of Computer-Aided Molecular Design. :1–6.
Kamei T, Kamikawa T, Araki M, DenBaars SP, Nakamura S, Bowers JE.  2020.  Research Toward a Heterogeneously Integrated InGaN Laser on Silicon. physica status solidi (a). 217:1900770.
Klemenz S, Hay AK, Teicher SML, Topp A, Cano J, Schoop LM.  2020.  The role of delocalized chemical bonding in square-net-based topological semimetals. Journal of the American Chemical Society.
Markodimitraki CM, Rang FJ, Rooijers K, de Vries SS, Chialastri A, de Luca KL, Lochs SJA, Mooijman D, Dey SS, Kind J.  2020.  Simultaneous quantification of protein–DNA interactions and transcriptomes in single cells with scDam&T-seq. Nature Protocols. :1–32.
Vandervelden CA, Khan SA, Scott SL, Peters B.  2020.  Site-averaged kinetics for catalysts on amorphous supports: an importance learning algorithm. Reaction Chemistry & Engineering. 5:77–86.
Brooks J, Weng G, Taylor S, Vlcek V.  2020.  Stochastic many-body perturbation theory for Moiré states in twisted bilayer phosphorene. Journal of Physics: Condensed Matter. 32:234001.
Levin EE, Bocarsly JD, Grebenkemper JH, Issa R, Wilson SD, Pollock TM, Seshadri R.  2020.  Structural coupling and magnetic tuning in Mn2- x Co x P magnetocalorics for thermomagnetic power generation. APL Materials. 8:041106.
Schueller EC, Kitchaev DA, Zuo JL, Bocarsly JD, Cooley JA, Van der Ven A, Wilson SD.  2020.  Structural evolution and skyrmionic phase diagram of the lacunar spinel GaMo $ _4 $ Se $ _8$. arXiv preprint arXiv:2005.06662.
Braun C, Engelhardt B, Griffy B, Rupert P.  2020.  Testing the Independence of Job Arrival Rates and Wage Offers. Labour Economics. :101804.
Lewi T, Butakov NA, Iyer PP, Evans HA, Chorsi H, Trastoy J, Granda JDel Valle, Valmianski I, Urban C, Kalcheim Y et al..  2020.  Tunable and reconfigurable high-index semiconductor meta-optics. High Contrast Metastructures IX.
Morgan EE, Mao L, Teicher SML, Wu G, Seshadri R.  2020.  Tunable Perovskite-Derived Bismuth Halides: Cs3Bi2 (Cl1–x I x) 9. Inorganic Chemistry.
Gunda NSHarsha, Van der Ven A.  2020.  Understanding the interactions between interstitial and substitutional solutes in refractory alloys: The case of Ti-Al-O. Acta Materialia.
Egan R, Gibou F.  2020.  xGFM: Recovering convergence of fluxes in the ghost fluid method.
2019
Pilar K, Deng Z, Preefer MB, Cooley JA, Clément R, Seshadri R, Cheetham AK.  2019.  Ab initio computation for solid-state 31 P NMR of inorganic phosphates: revisiting X-ray structures. Physical Chemistry Chemical Physics.
Mu S, Peelaers H, Van de Walle CG.  2019.  Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters. 115:242103.
Su Y, Xu S, Beyerlein I.  2019.  Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys. Modelling and Simulation in Materials Science and Engineering.
Yurash B, Leifert D, Reddy GNManjunatha, Cao DXi, Biberger S, Brus VV, Seifrid M, Santiago PJ, Köhler A, Chmelka BF et al..  2019.  Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
Jun X, Shuozhi X, Beyerlein I.  2019.  Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.
Trusty T, Xu S, Beyerlein IJ.  2019.  Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal of Applied Physics. 126:095105.
Lipshutz BHoward, Slack E, Seupel R, Aue D, Bringmann G.  2019.  Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine. Chemistry–A European Journal.
Abdelghany M, Madhow U, Tölli A.  2019.  Beamspace Local LMMSE: An Efficient Digital Backend for mmWave Massive MIMO. 2019 IEEE 20th International Workshop on Signal Processing Advances in Wireless Communications (SPAWC).
Fabini DH, Koerner M, Seshadri R.  2019.  Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry of Materials.
Evans HA, Andrews JL, Fabini DH, Preefer MB, Wu G, Cheetham AK, Wudl F, Seshadri R.  2019.  The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications. 55(5):588-591.
Hughes MP, Rosenthal KD, Dasari RR, Luginbuhl BR, Yurash B, Marder SR, Nguyen T-Q.  2019.  Charge Recombination Dynamics in Organic Photovoltaic Systems with Enhanced Dielectric Constant. Advanced Functional Materials. :1901269.
Choudhry U, Yue S, Liao B.  2019.  Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.

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