Konferencja Użytkowników Komputerów Dużej Mocy - KUKDM 2024

Session

S7 - Contributed session

15 Mar 2024, 12:50

Zakopane

35. Ab Initio Molecular Dynamics Simulations of Aqueous LiTFSI Solutions – Structure, Hydrogen Bonding, and IR Spectra

Andrzej Eilmes

15/03/2024, 12:50

Andrzej Eilmes, Piotr Wróbel, Piotr Kubisiak

36. Interaction Spheres for Molecular Interactions – Application in Drug Design

Rafał Kurczab

15/03/2024, 13:05

Rafał Kurczab

37. Dynamic Disulfide Bonds in Molecular Dynamics Simulation

Pamela Smardz

15/03/2024, 13:20

Pamela Smardz, Paweł Krupa

38. Application of Fragment Molecular Orbital Method to Investigate G Protein Coupled Receptors

Paweł Śliwa

15/03/2024, 13:35

Paweł Śliwa

39. Theoretical Description of Peptide Bonds in Selected Systems Based on the ETS-NOCV Method

Maria Rózga

15/03/2024, 13:50

Maria Rózga, Artur Michalak

40. Analytical Inversion Regional Modeling System for Estimation of National-Scale CO2 Fluxes – Results of the CoCO2 Project

Mirosław Zimnoch

15/03/2024, 14:05

Michał Gałkowski, Piotr Sekuła, Mirosław Zimnoch

41. Big Data in Proton Beam Monitoring: LGAD Detectors Study

Leszek Grzanka

15/03/2024, 14:20

Leszek Grzanka, Nicola Minafra, Ronan McNulty, Tomasz Nowak, Jan Swakoń, Piotr Rzeźnik

42. Pedestrian Crossing Intention Detection within Challenging Road Conditions

Szymon Mazurek

15/03/2024, 14:35

Szymon Mazurek, Mustafa Sakhai, Maciej Wielgosz