J. Daniel Gezelter » Image Gallery
Ice-i
Our group has discovered a novel low-density ice structure (called Ice-i) which is the most stable ambient-pressure ice structure for the commonly computational models for water (including the TIP3P and SPC/E water models that are used in CHARMM and Amber). We believe ice-i is an interesting and important computational artifact, but we await experimental confirmation that this is really an imaginary computer-only structure.
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Contact Information
- Associate Professor
Director of Graduate Admissions - Office: 258 Stepan
- Phone: 574.631.7595
- Contact by Email
- Group Website
