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Welcome to my blog! As a computational chemist, I'm excited to share my knowledge and passion with you through my blogs on computational and AI chemistry. Let's learn and explore together!
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Visualize XDATCAR Using Material Studio
The VASP output file, XDATCAR, contains the ionic configuration of the system after a specified number of ionic steps. This file is...
Aug 17, 2023
2 min read
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