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Examples of GCMC of gas adsorption onto a surface
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2
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30
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March 30, 2026
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File structure of the *.frc file
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5
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55
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December 29, 2025
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A huge difference of MgB2 bulk parameters
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9
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127
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November 10, 2025
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How to enhance the accuracy of the Phonon calculations?
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3
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138
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July 12, 2025
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Charge Neutrality Problem
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7
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121
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June 12, 2025
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Fitting Core Shell Model for Si dope Beta Ga2O3
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4
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107
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October 3, 2024
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Fix/freeze region in gulp
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1
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18
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August 12, 2024
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Multiple KIM installations or cannot find libkim-api.so
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4
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366
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July 5, 2024
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Difference in single point energy between GULP and Gromacs
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4
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328
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December 7, 2023
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Matrix inversion failed in EEM/QEq
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4
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364
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October 5, 2023
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Phonon dispersion curve of SLG
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1
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281
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October 5, 2023
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Question about the NEB calculation
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1
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359
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August 16, 2023
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Gamma point analysis
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3
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368
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June 23, 2023
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Arrhenius Graphic
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0
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250
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April 13, 2023
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Generating .gin file
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2
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423
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September 26, 2022
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How to calculate ionic conductivity of doped BaZrO3 ceramic
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1
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393
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September 17, 2022
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How to estimated required memory?
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3
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624
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February 9, 2022
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How to get core and shell coordiantes in the relax fit with core shell model?
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2
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600
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January 5, 2022
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OpenKim and GULP 6.0
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1
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486
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May 27, 2021
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