Technical University of Munich
TUM School of CIT
Department of Computer Science
Boltzmannstrasse 3
85748 Garching
Germany
Office: MI 02.05.036
Mail: samuel.newcome (at) tum.de
Tel: +49-89-289-18-616
Office Hours: by arrangement
Background
- Research Associate at Technical University Munich, Institute for Informatics, Chair for Scientific Computing in Computer Science, since 2022
- Researching perormance algorithms for Molecular Dynamics Simulation.
- Teaching Molecular Dynamics, Mathematical Modelling, and Simulation.
- Organiser for Ferienakademie.
- M.Sc. in Modern Applications in Mathematics, University of Bath, 2021
- Specialised in computational methods, mathematical modelling, and neural ODEs
- B.Sc. in Mathematical Sciences, University of Bath, 2020
Research interests
- Molecular Dynamics Simulations (specifically multi-site and 3-body MD simulations)
- Auto-Tuning & Algorithm Selection in MD Simulations
- Kernel-level optimisations
- Geometric Numerical Integration
- Keeping my plants alive
Thesis Supervision
I usually have one or two student project topics available. Generally I supervise theses on algorithm selection in particle simulations (including data-driven and data-free techniques), kernel-level optimisations (performance portability and a specific focus on multi-site molecular dynamics), neighbour identification algorithms in particle simulation, and numerical integration in particle simulation. Please send me an email if you are interested, and let me know of any relevant experience you have in the fields of Scientific Computing or High Performance Computing.
Teaching
- Modelling and Simulation: Exercise Sessions & Exam Organisation - SS22-Present
- Bachelor's Practical: Project Software Engineering - Molecular Dynamics - WS22/23-Present (Excluding SS variant)
- Master's Seminar: Methods in Molecular Dynamics Simulations - WS24/25-Present
- Scientific Computing 2: Exercise Sessions & Exam Organisation - SS23 Only
- Ferienakademie Course 5 - SS22 Only
