Emir Kocer
- 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
- Continuous and Optimally Complete Description of Chemical Environments\n Using Spherical Bessel Descriptors
2019/07/04 by Emir Kocer, Jeremy K. Mason, Kocer, Emir +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
- 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
- Iterative charge equilibration for fourth-generation high-dimensional neural network potentials
2025/02/11 by Emir Kocer, Kocer, Emir, Andreas Singraber +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
- RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials
2026/07/20 by Alexander L. M. Knoll, Moritz R. Schäfer, K. Nikolas Lausch +10
#physics.chem-ph #cond-mat.mtrl-sci #physics.comp-ph