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saeid-lab/README.md
  • 👋 Hi, I’m Saeid
  • 👀 Interested in Computational Chemistry (QM, MM, AI), Programming, and Data Analysis
  • 💞️ Open to collaborating on the above topics 👆

Popular repositories

  1. TIP4P-Lammps TIP4P-Lammps Public

    An example of TIP4P water box in lammps

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  2. SPCE_water_lammps SPCE_water_lammps Public

    Calculate some properties for SPC/C

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  3. ANI-ASE ANI-ASE Public

    A Simple code for calculating Energy, Frequencies, Thermochemistry and Optimization

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  4. NNP NNP Public

    my thesis code for NNP

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  5. Freq2FC Freq2FC Public

    Converting vibrational frequencies to force constant

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  6. ethane-dihedral ethane-dihedral Public

    Ethane dihedral Scan Using ASE

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