Kocer, Emir

1. Neural Network Potentials: A Concise Overview of Methods
   2021/07/08 by Emir Kocer, Kocer, Emir, Tsz Wai Ko +3 · 16 citations
   Materials Science · Computer Science · Chemistry · #Machine Learning in Materials Science #Computational Drug Discovery Methods #Electrochemical Analysis and Applications
2. Continuous and Optimally Complete Description of Chemical Environments\n Using Spherical Bessel Descriptors
   2019/07/04 by Emir Kocer, Kocer, Emir, Jeremy K. Mason +3 · 2 citations
   Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #Computational Physics (physics.comp-ph) #FOS: Physical sciences #History and advancements in chemistry #Machine Learning in Materials Science
3. Machine learning potentials for redox chemistry in solution
   2024/10/04 by Emir Kocer, Redouan El Haouari, Kocer, Emir +5 · 1 voice · 2 citations
   Chemistry · Computer Science · #Computational Drug Discovery Methods #Free Radicals and Antioxidants #Various Chemistry Research Topics #physics.chem-ph
4. Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
   2025/02/11 by Emir Kocer, Andreas Singraber, Kocer, Emir +11 · 3 citations
   Computer Science · Physics and Astronomy · #FOS: Physical sciences #Machine Learning and ELM #Materials Science (cond-mat.mtrl-sci) #Quantum Computing Algorithms and Architecture #Quantum and electron transport phenomena