Publications

2020
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.
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.
Natarajan ARaju, Van der Ven A.  2020.  Linking electronic structure calculations to generalized stacking fault energies in multicomponent alloys. arXiv preprint arXiv:2001.06912.
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.
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.
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.
Hou T, Yue S, Sun X, Fan A, Chen Y, Wang M, Cai S, Zheng C, Liao B, Zhao J.  2020.  Nitrogen-Doped graphene coated FeS2 microsphere composite as high-performance anode materials for sodium-ion batteries enhanced by the chemical and structural synergistic effect. Applied Surface Science. 505:144633.
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.

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