1. Exploring the normal modes of gaseous ammonia by Jonathan Schirmer
2. Convergence exploration for k points and cutoff energy based on the model of a hydrogen atom on Cu(111) surface HCP site by Ran Chen
3. Calculating the Barrier of Vinyl Alcohol Tautomerization to Acetaldehyde by Bryan William Brasile
4. Ab initio calculations to determine the Li - LiH phase diagram by Mohamed Mauroof Fadhi Umar
5. Hopping of Hydrogen on the Surface of Cu(111): A Transition State Study by Garrett DuCharme
6. ab initio Phase Diagram for LiH and Li by Mark Bronson
7. Kinetic Monte Carlo for H2 Langmuir Adsorption-Desorption by Haoran He
8. AB Initio Phase diagram for LiH and Li by Tongzhou Zhao
9. A density functional theory study of the preferred hydrogen position in defective Fe2O3 (hematite) by Si Chen
10. The significant effect of spin-orbit coupling on band structures of Bi2Se3 by Run Xiao
11. Comparison of the Convergence of System Energy and Density of States Calculations with Respect to k-Point Sampling by Mark Hagemann
12. The Interlayer Distance of Bilayer Graphene - a van der Waals case study by Brett Green
13. Thermodynamic ab initio Study for Coverages of Adsorbed H on Cu(100) by Zihao Chen
14. Energies and Lattice Constants of Ferromagnetic and Antiferromagnetic States in Co, MnF2, and MnBi by Jeff Rable
15. Considerations for DFT Frequency Calculations by Bryan William Brasile

Timeline of 2nd posts