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Release of AVATAR (No replies)

srampino
3 months ago
srampino 3 months ago
Dear colleagues
 
We are happy to announce that AVATAR (Advanced Virtual Approach to Topological Analysis of Reactivity) is now available for download at http://smart.sns.it/avatar
 
AVATAR is a Virtual Reality application for the immersive exploration of potential-energy landscapes through the HTC Vive Head-Mounted Display based on the two key concepts of a) reducing the dimensionality of the potential‐energy surface to two process‐tailored, physically meaningful coordinates, and b) exploiting the analogy between the evolution of a chemical process and a pathway through valleys (potential wells) and mountain passes (saddle points) of the associated potential energy landscape. A full description of the software is in:
 
Martino M, Salvadori A, Lazzari F, Paoloni L, Nandi S, Mancini G, Barone V, Rampino S, Chemical promenades: exploring potential-energy surfaces with immersive virtual reality, Journal of Computational Chemistry (2020), DOI: 10.1002/JCC.26172
 
Requirements:
- Windows 10 64bit Operating System
- HTC Vive headset
- A PC meeting the minimum system requirements for using the HTC Vive headset
 
Note that the software can be used to some extent also as a desktop application without the HTC Vive headset, using the A, S, D, and W keys of the keyboard for moving through the potential-energy landscape.



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Ab initio (from electronic structure) calculation of complex processes in materials