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cond-mat.mtrl-sci2026
Nudged Elastic Band Method in the CRYSTAL code. Theory and Applications
Andreha Gelli, Silvia Casassa, Albert Rimola +1
The nudged elastic band (NEB) method is a widely used algorithm for determining minimum energy paths and transition states in chemical reactions and phase transitions. In this work…
astro-ph.GA2026
When Two Worlds Collide: How Collisions Between Silicate and Carbonaceous Nanograins can Drive Complex Chemistry
Alexandros Kyriazis, Albert Rimola, Stefan T. Bromley
Our overall objective is to determine how collision velocity governs the interactions between silicate and carbonaceous nanograins. We aim to: i) identify collisional regimes capab…