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 auto-tuning in AutoPas, Multi-Site Molecular Dynamics, and algorithms for 3-body force interactions in Molecular Dynamics. 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
Summer Semester 2024
- Exercise Sessions & Exam Organisation: Modelling and Simulation
Winter Semester 2023/24
- Bachelor's Practical: Project Software Engineering - Molecular Dynamics
Summer Semester 2023
- Exercise Sessions & Exam Organisation: Modelling and Simulation
- Exercise Sessions & Exam Organisation: Scientific Computing 2
Winter Semester 2022/23
- Bachelor's Practical: Project Software Engineering - Molecular Dynamics
Summer Semester 2022
- Exercise Sessions & Exam Organisation: Modelling and Simulation
- Ferienakademie Course 5
