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4
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260
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April 24, 2023
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Fine-tuning CHGNet with AIMD data
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3
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764
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April 18, 2023
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Suggestion for experimental data schemas
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0
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207
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April 18, 2023
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Need help for calculating the interatomic energy between two Au atoms using Auu3.eam potential file
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1
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231
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April 1, 2023
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Thermal conductivity
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0
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274
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March 22, 2023
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Open ended Senior Software Scientist position available (UK)
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0
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249
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March 14, 2023
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Phase transformation for si gas hydrates
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0
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251
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January 25, 2023
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ML predictions not correlated with bias in data
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0
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267
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January 22, 2023
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How can I understand My structure is Amorphous or not?
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1
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277
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January 18, 2023
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Influence of one region over other inspite of gap between atoms
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1
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239
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December 27, 2022
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Fresh raspberries repel honey (?)
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2
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484
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December 13, 2022
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VMD -> OpenGL-display does not work on Xforwarding
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0
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285
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December 12, 2022
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Hiring Ph.D. students for my group at Northeastern University
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0
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323
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December 8, 2022
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Difference of thermal conductivity along different axis
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0
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252
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December 2, 2022
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General notice: Mastodon server
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0
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307
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November 29, 2022
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Gas Hydrate Melting point
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2
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370
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October 31, 2022
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How do I define the density of a finite system?
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2
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305
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October 31, 2022
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Introduce Carolina Materials Database
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2
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495
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October 29, 2022
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Force field
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2
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393
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October 10, 2022
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FAIR principles for molecular dynamics
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1
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431
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September 29, 2022
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Frontiers in Computational Chemistry, Oct 7 2022
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0
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349
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August 9, 2022
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How DFT-D3 affects 3-d vs. layered structures
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0
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279
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July 11, 2022
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Materials Studio, Charges
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2
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434
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June 22, 2022
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Molecular modeling of diatomic molecules
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4
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371
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June 14, 2022
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Change xyz coordinates
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0
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303
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May 24, 2022
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I want to use one of the potentials on NIST , but how can I implement them like Al-Au-Si
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2
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405
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March 2, 2022
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X- Ray diffraction
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1
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378
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February 10, 2022
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The comparison of bandgap value of slab and bulk phase
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1
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787
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February 8, 2022
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Managing Research Software Projects Workshop
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0
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332
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September 8, 2021
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How best to post FYI of upcoming conferences?
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2
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359
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May 14, 2021
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