1. The ABINIT project: Impact, environment, and recent developments, X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, J Bieder, F Bottin, J Bouchet, E Bousquet, N Brouwer, F Bruneval, G Brunin, T Cavignac, J-B Charraud, W Chen, M Cote, S Cottenier, J Denier, G Geneste, P Ghosez, M Giantomassi, Y Gillet, O Gingras, DR Hamann, G Hautier, X He, N Helbig, N Holzwarth, Y Jia, F Jollet, W Lafargue-dit-hauret, K Lejaeghere, MAL Marques, A Martin, C Martins, HPC Miranda, F Naccarato, K Persson, G Petretto, V Planes, Y Pouillon, S Prokhorenko, F Ricci, GM Rignanese, AH Romero, MM Schmitt, M Torrent, MJ Van Setten, B Van Troeye, MJ Verstraete, G Zerah, JW Zwanziger, Comput. Phys. Commun. 248, 107042- (2020).
  2. ABINIT: Overview and focus on selected capabilities, AH Romero, B Amadon, DC Allan, G Antonius, T Applencourt, L Baguet, J Bieder, F Bottin, J Bouchet, E Bousquet, F Bruneval, G Brunin, D Caliste, M Cote, J Denier, C Dreyer, P Ghosez, M Giantomassi, Y Gillet, O Gingras, DR Hamann, G Hautier, F Jollet, G Jomard, A Martin, HPC Miranda, F Naccarato, G Petretto, N Pike, V Planes, S Prokhorenko, T Rangel, F Ricci, GM Rignanese, M Royo, M Stengel, M Torrent, MJ Van Setten, B Van Troeye, MJ Verstraete, J Wiktor, JW Zwanziger, X Gonze, J. Chem. Phys. ESS2020, 124102- (2020).
  3. Solid-state nuclear magnetic resonance investigation of synthetic phlogopite and lepidolite samples, L Sulcek, R Langner, U Werner-Zwanziger, JW Zwanziger, C Martineau-Corcos, M Fechtelkord, Magn. Reson. Chem. , - (2020).
  4. Amorphous Quantum Nanomaterials, FFE Kohle, JA Hinckley, S Li, N Dhawan, WP Katt, JA Erstling, U Werner-Zwanziger, JW Zwanziger, RA Cerione, U Wiesner, Adv. Mater. , 1806993- (2019).
  5. Understanding the elastic and thermal response in TiC-based ceramic-metal composite systems: First-principles and mechanical studies, T Todorova, M Gaier, JW Zwanziger, K Plucknett, J. Alloys and Cmpds. 789, 712-719 (2019).
  6. The influence of intermetallic ordering on wear and indentation properties of TiC-Ni3Al cermets, M Gaier, T Todorova, Z Russell, ZN Farhat, JW Zwanziger, K Plucknett, Wear 427-428A, 390-400 (2019).
  7. Network Connectivity and Crystallization in the Transparent Ferroelectric Nanocomposite LaBGeO5, A Paterson, U Werner-Zwanziger, JW Zwanziger, J. Phys. Chem. C 123, 11860-11873 (2019).
  8. Structural relaxation in polyanionic sodium fluorophosphate glasses, C Calahoo, J Petrovic, QH Le, U Werner-Zwanziger, JW Zwanziger, L Wondraczek, Frontiers in Materials , - (2019).
  9. Anisotropic stress in laser-written LaBGeO5 glass-ceramic composites, A Paterson, JW Zwanziger, J. Appl. Phys. 124, 083106- (2018).
  10. Structural Differences between the Glass and Crystal Forms of the Transparent Ferroelectric Nanocomposite LaBGeO5, from Neutron Diffraction and NMR Spectroscopy, A Paterson, AC Hannon, U Werner-Zwanziger, JW Zwanziger, J. Phys. Chem. C 122, 20963-20980 (2018).
  11. A long-chain protic ionic liquid inside silica nanopores: enhanced proton mobility due to efficient self-assembly and decoupled proton transport, MG Nagendrachar, V Dracopoulos, U Werner-Zwanziger, JW Zwanziger, M Marechal, M Persson, L Nordstierna, A Martinelli, Nanoscale , - (2018).
  12. Tuning the creep rates of binary Al alloys by considering the effects of the stacking faults, alloying elements and elastic moduli: A first-principles study, T Todorova, JW Zwanziger, Can. J. Chem. 96, 755-759 (2018).
  13. 125Te NMR probes of tellurium oxide crystals: shielding-structure correlations, MG Nagendrachar, U Werner-Zwanziger, JW Zwanziger, Inorg. Chem. 57, 892-898 (2018).
  14. Zero stress-optic bismuth oxide-based glass, E Power, A Paterson, U Werner-Zwanziger, LD Ellis, JW Zwanziger, J. Non-Cryst. Solids 479, 82-89 (2018).
  15. Short-range Structure of TeO2 Glass, MG Nagendrachar, U Werner-Zwanziger, JW Zwanziger, A DeCeanne, B Hauke, K Bozer, SA Feller, J. Phys. Chem. C 121, 28117-28124 (2017).
  16. The mixed modifier effect in ionic conductivity and mechanical properties for xMgO-(50-x)CaO-50SiO2 glasses, C Calahoo, JW Zwanziger, J. Non-Cryst. Solids 460, 6-18 (2017).
  17. Relationships Between Elastic Anisotropy and Thermal Expansion in A2Mo3O12 Materials, CP Romao, SP Donegan, JW Zwanziger, MA White, Phys. Chem. Chem. Phys. 18, 30652-30661 (2016).
  18. Computation of NMR Observables: Consequences of Projector-Augmented Wave Sphere Overlap, JW Zwanziger, Sol. St. NMR 80, 14-18 (2016).
  19. Elasto-optic coefficients of borate, phosphate and silicate glasses: determination by Brillouin spectroscopy, J Galbraith, L Chapman, JW Zwanziger, M Aldridge, J Kieffer, J. Phys. Chem. C 120, 21802-21810 (2016).
  20. Recent developments in the ABINIT software package, X Gonze, F Jollet, F Abreu Araujo, D Adams, B Amadon, T Applencourt, C Audouze, J-M Beuken, J Bieder, A Bokhanchuk, E Bousquet, F Bruneval, D Caliste, M Cote, F Dahm, F Da Pieve, M Delaveau, M Di Gennaro, B Dorado, C Espejo, G Geneste, L Genovese, A Gerossier, M Giantomassi, Y Gillet, DR Hamann, L He, G Jomard, J Laflamme Janssen, S Le Roux, A Levitt, A Lherbier, F Liu, I Lukacevic, A Martin, C Martins, MJT Oliveira, S Ponce, Y Pouillon, T Rangel, G-M Rignanese, AH Romero, B Rousseau, O Rubel, AA Shukri, M Stankovski, M Torrent, MJ Van Setten, B Van Troeye, MJ Verstraete, D Waroquiers, J Wiktor, B Xu, A Zhou, JW Zwanziger, Comput. Phys. Commun. 205, 106-131 (2016).
  21. Mechanical-Structural Investigation of Ion-Exchanged Lithium Silicate Glass using Micro-Raman Spectroscopy, C Calahoo, JW Zwanziger, IS Butler, J. Phys. Chem. C 120, 7213-7232 (2016). Open-access post-print .
  22. Self-Assembled Gyroidal Mesoporous Polymer-Derived High Temperature Ceramic Monoliths, EM Susca, PA Beaucage, M Hanson, U Werner-Zwanziger, JW Zwanziger, LA Estroff, U Wiesner, Chem. Mater. 28, 2131-2137 (2016).
  23. Nano-indentation Study of the Surface of Ion-Exchanged Lithium Silicate Glass, C Calahoo, X Zhang, JW Zwanziger, J. Phys. Chem. C 120, 5585-5598 (2016). Open-access post-print .
  24. Stimuli-Responsive Shapeshifting Mesoporous Silica Nanoparticles, Y Sun, H Sai, KA Spoth, KW Tan, U Werner-Zwanziger, JW Zwanziger, SM Gruner, LF Kourkoutis, U Wiesner, Nano Lett. 16, 651-655 (2016).
  25. Designing glass with non-dispersive stress-optic response, J Galbraith, JW Zwanziger, J. Non-Cryst. Solids 433, 82-86 (2016). Open-access post-print .
  26. Relating 139La Quadrupolar Coupling Constants to Polyhedral Distortion in Crystalline Structures, A Paterson, M Hanson, U Werner-Zwanziger, JW Zwanziger, J. Phys. Chem. C 119, 25508-25517 (2015). Open-access post-print .
  27. Crystal and Electronic Structures of Complex Bismuth Iodides A3Bi2I9 (A = K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics, AJ Lehner, DH Fabini, HA Evans, C-A Hebert, S Smock, J Hu, H Wang, JW Zwanziger, ML Chabinyc, R Seshadri, Chem. Mater. 27, 7137-7148 (2015).
  28. Control of ultrasmall sub-10 nm ligand-functionalized fluorescent core-shell silica nanoparticle growth in water, K Ma, C Mendoza, M Hanson, U Werner-Zwanziger, JW Zwanziger, U Wiesner, Chem. Mater. 27, 4119-4133 (2015).
  29. Highly fluorescent sub 40-nm aminated mesoporous silica nanoparticles, T Suteewong, K Ma, JE Drews, U Werner-Zwanziger, JW Zwanziger, U Wiesner, MS Bradbury, J. Sol-Gel Sci. Tech. 74, 32-38 (2015).
  30. Topological Constraints and the Makishima Mackenzie Model, M Plucinski, JW Zwanziger, J. Non-Cryst. Solids 429, 20-23 (2015). Open-access post-print .
  31. The heat capacities of thermomiotic ScF3 and ScF3-YF3 solid solutions, CP Romao, CR Morelock, MB Johnson, JW Zwanziger, AP Wilkinson, MA White, J. Mater. Sci. 50, 3409-3415 (2015). Open-access post-print .
  32. Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix, S Saha, T Todorova, JW Zwanziger, Acta Mater. 89, 109-115 (2015). Open-access post-print .
  33. Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties, CP Romao, FA Perras, U Werner-Zwanziger, J Lussier, KJ Miller, C Calahoo, JW Zwanziger, M Bieringer, BA Marinkovic, DL Bryce, MA White, Chem. Mater. 27, 2633-2646 (2015). Open-access post-print .

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