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21. Crossing Scales with Computational Tools: Applications to Divalent Silicate Dissolution

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Open Access

22. Testing the Viability of Supercritical Carbon Dioxide as a Fracking Fluid by Computing its Chemical Interaction with Illite

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Open Access

23. MODELLING THE STRUCTURE AND DYNAMICS OF H-BOND NETWORKS AT OXIDE-WATER INTERFACES: FROM NEUTRON SPECTROSCOPY TO SUM FREQUENCY GENERATION

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Open Access

24. Shape-Selective Syntheses of Gold and Copper Nanostructures: Insights from Density-Functional Theory and Molecular Dynamics

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Open Access

25. Analysis of Biomimetic Block Copolymer Membranes Used for Protein Incorporation

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Open Access

26. Mesomorphic Phase Transitions in Semicrystalline Polymers

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Open Access

27. MULTI-SCALE CHARACTERIZATION AND MODELLING OF NANOSILICA REINFORCED CARBON/EPOXY COMPOSITES FOR FILAMENT WOUND STRUCTURES

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Open Access

28. Thermodynamic Accuracy and Transferability of Coarse Grained Models and Applications to Petrochemical Systems

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Open Access

29. MOLECULAR DYNAMICS SIMULATIONS OF IONIC LIQUIDS AND IONIC LIQUID - CONVENTIONAL SOLVENT MIXTURES

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Open Access

30. Molecular Dynamics Simulation of Non-ionized Dipole Gases for Electromagnetic Propulsion

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Open Access