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350 results on '"Goldman, Nir"'

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1. Quantum Calculations of Hydrogen Absorption and Diffusivity in Bulk $\mathrm{CeO_2}$

2. Creation of an Fe$_3$P Schreibersite Density Functional Tight Binding Model for Astrobiological Simulations

3. Enhancing the Accuracy of Density Functional Tight Binding Models Through ChIMES Many-body Interaction Potentials

4. Hydrogen in Disordered Titania: Connecting Local Chemistry, Structure, and Stoichiometry through Accelerated Exploration

5. Ab initio calculations for void swelling bias in $\alpha$ and $\delta$-plutonium

6. Elucidating the initial steps in {\alpha}-uranium hydriding using first-principles calculations

7. Quantifying Free-volume Topology in Atomistic Structures Through a Combination of Voxelization and Graph Theory

9. A Physically-informed Graph-based Order Parameter for the Universal Characterization of Atomic Structures

10. Using DFTB to Model Photocatalytic Anatase-Rutile TiO$_2$ Nanocrystalline Interfaces and their Band Alignment

11. Semi-Automated Creation of Density Functional Tight Binding Models Through Leveraging Chebyshev Polynomial-based Force Fields

12. Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials.

13. A reactive molecular dynamics model for uranium/hydrogen containing systems.

19. Chemical evolution in nitrogen shocked beyond the molecular stability limit.

20. Hugoniot properties of porous stainless steel: Insights from molecular dynamics simulations.

22. Highly ordered graphite (HOPG) to hexagonal diamond (lonsdaleite) phase transition observed on picosecond time scales using ultrafast x-ray diffraction.

26. A first-principles study of hydrogen surface coverage on δ-Pu (100), (111), and (110) surfaces.

31. Hydrogen in disordered titania: connecting local chemistry, structure, and stoichiometry through accelerated exploration

32. Investigating 3,4-bis(3-nitrofurazan-4-yl)furoxan detonation with a rapidly tuned density functional tight binding model.

35. Calculation of the detonation state of HN3 with quantum accuracy.

36. Active learning for robust, high-complexity reactive atomistic simulations.

37. Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions.

47. Pressure-driven symmetry transitions in dense H2O ice

49. Mesocrystalline Ordering and Phase Transformation of Iron Oxide Biominerals in the Ultrahard Teeth of Cryptochiton stelleri

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