LCBC

Lab Key visual
Development of Hybrid QM/MM Methods for Combined Quantum/Classical Car-Parrinello Simulations. – Development of Long-Time Scale Techniques for Ab initio MD Simulations. – In situ Simulations of Chemical Reactions in Gas Phase and in Solution. – Ab initio Simulations of Biological Systems.

Our research interests are concentrated on ab initio MD methods based on density functional theory (Car-Parrinello simulations) and their application, adaption and extension to systems of chemical and/or biological interest.


Latest Publications

Formation of electron traps in semiconducting polymers via a slow triple-encounter between trap precursor particles

M. Sedghi; C. Vael; W-H. Hu; M. Bauer; D. Padula et al. 

Science And Technology Of Advanced Materials. 2024-12-31. Vol. 25, num. 1, p. 2312148. DOI : 10.1080/14686996.2024.2312148.

Data-driven LPV Disturbance Rejection Control with IQC-based Stability Guarantees for Rate-bounded Scheduling Parameter Variations

E. Klauser; A. Karimi 

2024-12-16. 63rd IEEE Conference on Decision and Control (CDC 2024)Milano Congressi (MiCo), Milan, Italy, December 16-19, 2024.

Fine Arts in Transition: An Operative Research and Teaching Approach between Analogue and Digital

N. Braghieri; F. Fanciotti 

Lausanne: EPFL Press, 2024-09-30.

Validation and Application of Hysteresis Loss Model for HTS Stacks and Conductors for Fusion Applications

A. Zappatore; N. Bykovskiy; G. De Marzi 

Ieee Transactions On Applied Superconductivity. 2024-08-01. Vol. 34, num. 5, p. 4704105. DOI : 10.1109/TASC.2024.3369584.

Performance Comparison of Cables With Partial Transposition

C. Frittitta; P. Bruzzone; H. Bajas; F. Dematte; K. Sedlak 

Ieee Transactions On Applied Superconductivity. 2024-08-01. Vol. 34, num. 5, p. 4803205. DOI : 10.1109/TASC.2024.3367804.

Quench Detection and Temperature Measurement With Fiber Optic Sensors

H. Bajas; D. Uglietti; C. Muller; K. Sedlak 

Ieee Transactions On Applied Superconductivity. 2024-08-01. Vol. 34, num. 5, p. 9001005. DOI : 10.1109/TASC.2023.3346855.

Design of a Beam Separator for FLASH Electron Therapy Facilities

V. Korchevnyuk; J. Bauche; M. Karppinen; A. Latina; S. Russenschuck et al. 

Ieee Transactions On Applied Superconductivity. 2024-08-01. Vol. 34, num. 5, p. 4401005. DOI : 10.1109/TASC.2023.3341895.

Flow and Snow in Complex Terrain

M. Lehning 

International Union of Geodesy and Geophysics (IUGG), Berlin, Germany, July 12-16, 2023.

Data-Driven Control Synthesis using Koopman Operator: A Robust Approach

M. Eyuboglu; N. R. Powell; A. Karimi 

2024-07-12

MaskCLR: Attention-Guided Contrastive Learning for Robust Action Representation Learning

M. O. A. Abdelfattah; M. Hassan; A. Alahi 

2024-06-17. IEEE Conference on Computer Vision and Pattern Recognition (CVPR), Seattle, Washington, USA, June 17-21, 2024.

Differentially private multi-agent constraint optimization

S. Damle; A. Triastcyn; B. Faltings; S. Gujar 

Autonomous Agents And Multi-Agent Systems. 2024-06-01. Vol. 38, num. 1, p. 8. DOI : 10.1007/s10458-024-09636-x.

Roughness Evolution Induced by Third-Body Wear

J. Garcia-Suarez; T. Brink; J-F. Molinari 

Tribology Letters. 2024-06-01. Vol. 72, num. 2, p. 37. DOI : 10.1007/s11249-024-01833-9.