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Open PhD position in the CIMAP laboratory, France
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0
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99
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January 17, 2025
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Help Needed with Computing Global Pressure and Stress Tensor from LAMMPS Dump File
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2
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117
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January 13, 2025
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Heterogeneous Nucleation of Ice on Carbon Surfaces
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4
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82
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January 5, 2025
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How to control pressure under fixed boundary conditions
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2
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71
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January 1, 2025
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Strain rate amount problem
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1
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41
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January 1, 2025
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How to use RMSD trajectory calculator in VMD?
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0
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27
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December 20, 2024
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EAM Potential Parameterization for LAMMPS Simulation
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1
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73
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December 19, 2024
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Generating GAFF for Conformational Polymorphs
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1
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41
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November 27, 2024
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Energy-Volume minimum of water does not match zero pressure
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7
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184
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November 15, 2024
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Which Software? Light Scattering of Molecules
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0
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18
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November 11, 2024
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How to identify the different local chemical environment for different facets?
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0
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26
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November 10, 2024
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Can the bond/angle parameters obtained from DFT scanning be directly used for MD simulations?
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3
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92
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November 8, 2024
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Equilibrating cellulose crytal to a realistic density with charmm36 force field
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1
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71
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November 7, 2024
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On the current state of molecular simulation softwares and teaching
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9
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400
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November 7, 2024
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10 open PhD Positions in Max Planck Research School SusMet
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0
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62
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October 7, 2024
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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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41
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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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86
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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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347
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September 9, 2024
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PMF profile for polymer
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2
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58
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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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167
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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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177
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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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323
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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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96
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July 17, 2024
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Anharmonic crystals
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0
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82
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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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113
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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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226
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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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242
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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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101
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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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118
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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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173
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April 9, 2024
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