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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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225
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April 1, 2023
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Thermal conductivity
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0
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261
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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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244
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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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246
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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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259
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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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268
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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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233
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December 27, 2022
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Fresh raspberries repel honey (?)
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2
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469
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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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270
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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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315
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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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246
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December 2, 2022
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General notice: Mastodon server
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0
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300
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November 29, 2022
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Gas Hydrate Melting point
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2
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356
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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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298
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October 31, 2022
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Introduce Carolina Materials Database
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2
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480
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October 29, 2022
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Force field
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2
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383
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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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402
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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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344
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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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267
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July 11, 2022
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Materials Studio, Charges
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2
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416
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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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364
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June 14, 2022
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Change xyz coordinates
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0
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296
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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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399
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March 2, 2022
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X- Ray diffraction
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1
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371
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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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760
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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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322
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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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352
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May 14, 2021
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Asking something about CP2K
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0
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439
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April 22, 2021
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How do people handle uncertainty in simulation/experimental data for a model?
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0
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397
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March 31, 2021
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Outage Log
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1
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454
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February 18, 2021
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