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How to do equilibration or observe it in Monte Carlo MD using NPT ensemble?
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1
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26
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September 26, 2024
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High strain rate problems in molecular dynamics simulations
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1
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39
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September 13, 2024
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Inquiry about setting up a server for DFT calculation in the lab
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7
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156
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September 9, 2024
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PMF profile for polymer
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2
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34
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September 4, 2024
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Learning how to write parallel programs!
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9
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97
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August 28, 2024
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X-ray scattering intensity for polymer simulation
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7
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76
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August 26, 2024
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Electroneutrality in molecular dynamics simulation
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6
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146
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August 23, 2024
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Calculating Elastic Constants of Epoxy Networks
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1
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68
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July 17, 2024
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Anharmonic crystals
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0
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71
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June 19, 2024
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Creating Glassy-Carbon Structure with MD
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0
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99
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June 1, 2024
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How do you view the recent hot machine learning trend?
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5
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199
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May 16, 2024
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Packing ionic liquids of desirable Molarity in A given simulation box size
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3
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214
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April 30, 2024
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Packing ionic liquids of desirable Molarity in A given simulation box size
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0
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88
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April 29, 2024
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Thermal Conductivity Behaviour with Temperature? Molten Slag Systems
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0
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102
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April 26, 2024
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Materials Informatics Competition! April 22nd - May 6th
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0
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154
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April 9, 2024
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LJ units to SI
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1
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144
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April 2, 2024
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Solidification problem (Phase change is not observed)
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3
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181
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April 1, 2024
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Specific capacitance calculation
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0
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243
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March 2, 2024
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Open Review
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5
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650
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January 18, 2024
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Fitting EAM Potential to Cr-Nb System
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0
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177
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December 7, 2023
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Integral capacitance to energy density
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0
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156
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December 5, 2023
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Electron Phonon Coupling
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0
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160
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November 26, 2023
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Postdoctoral Job Opening at Northeastern University, Spring 2024
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0
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191
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November 21, 2023
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Can someone please tell me what I'm looking at in each of these microscopic images of different steel samples?
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0
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228
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September 24, 2023
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Insights on force-matching potentials
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3
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371
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September 21, 2023
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Seeking guidence/collaboration elucidating possible structures from some of my old unpublished compounds
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0
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195
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September 10, 2023
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Software to create complex polyhedron shapes
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2
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242
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August 24, 2023
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Avogadro software: issues when running with windows 7
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1
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254
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August 22, 2023
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Polymer translocation in nanopore
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1
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350
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August 9, 2023
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How to align principal axes of a dopant site to x, y and z axes?
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0
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218
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August 8, 2023
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