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Intro; Contents; Part I Physics; Blood Proteins and Their Interactions with Nanoparticles Investigated Using Molecular Dynamics Simulations; 1 Introduction; 2 Metadynamics of the Fibrinogen Protomer; 2.1 Methods; 2.2 Results; 3 Interactions Between Proteins and Poly(Ethylene-Glycol) Investigated Using Molecular Dynamics Simulations; 3.1 Methods; 3.2 Results and Discussion; References; Cosmic Large-Scale Structure in the IllustrisTNG Simulations; 1 Introduction; 2 TNG: The Next Generation Illustris Simulations; 2.1 The Need to Go Beyond the State of the Art; 2.2 New Modelling Techniques
2.3 Completed Simulation Set3 Early Results on Matter Clustering; 4 Conclusions; References; PAMOP: Large-Scale Calculations Supporting Experiments and Astrophysical Applications; 1 Introduction; 2 Valence Shell Photoionization Studies; 2.1 Photoionization of Atomic Chlorine Ions: Cl+; 2.2 Photoionization of Co+ and Electron Excitation of Co2+ Ions; 2.3 Photoionization of Tungsten (W) Ions: W4+; 3 Multiphotoionization: He and H2; 4 Diatomâ#x80;#x93;Diatom Collisions: SiOâ#x80;#x93;H2; 5 Radiative Processes in Collisions of Atoms and Ions; 5.1 Radiative Charge Transfer: Carbon Atoms with He+ Ions
5.2 Radiative Association: Carbon Atoms with H+ Ions6 Summary; References; Phenomenology of Strange Resonances; 1 Introduction; 2 HRG and the Strangeness Sectors on the Lattice; 3 Results and Their Interpretation; 4 Performance on the Hazel Hen System; References; Real-Time Lattice Simulations of Quantum Anomalies, Topologies and Particle Production in Strongly Correlated Gauge Theories; 1 Introduction; 2 Project Objectives Reached; 2.1 Transient Anomalous Charge Production from Coherent Color Fields Out-of-Equilibrium; 2.2 Anomalous Transport in Ultra-Relativistic Heavy Ion Collisions
2.2.1 Transport Phenomena from Lattice Simulations2.2.2 Simulating Overlap Fermions in Real Time; 2.3 Anomalous Dynamical Refringence in QED Experiments Beyond the Schwinger Limits; 2.4 Technical Developments; 2.4.1 Operator Improvements; 2.4.2 Wilson Averaging; 3 Outlook; References; Many-Body Effects in Fragmented, Depleted, and Condensed Bosonic Systems in Traps and Optical Cavities by MCTDHB and MCTDH-X; 1 Introductory Notes; 2 ``Social'' Dynamics of Ultra-Cold Atoms Trapped in Between Two Mirrors Together with Light; 3 Phantom Vortices Across Different Bose Gases
4 Dynamics Generated by Hubbard Hamiltonians with MCTDH-X: Splitting of a Two-Dimensional BEC5 Overlap of Exact and Gross-Pitaevskii Wave-Functions in Trapped Bose-Einstein Condensates of Dilute Gases; 6 Uncertainty Product of an Out-of-Equilibrium Trapped BEC; 7 Variance as a Sensitive Probe for Attribution of Many-Body Excitations and De-Excitations in Trapped BECs; 8 Many-Body Effects in the Excitation Spectrum of Weakly-Interacting BECs Trapped in Finite 1D Optical Lattices; 9 Brief Summary and Future Perspectives; References; Part II Molecules, Interfaces, and Solids
2.3 Completed Simulation Set3 Early Results on Matter Clustering; 4 Conclusions; References; PAMOP: Large-Scale Calculations Supporting Experiments and Astrophysical Applications; 1 Introduction; 2 Valence Shell Photoionization Studies; 2.1 Photoionization of Atomic Chlorine Ions: Cl+; 2.2 Photoionization of Co+ and Electron Excitation of Co2+ Ions; 2.3 Photoionization of Tungsten (W) Ions: W4+; 3 Multiphotoionization: He and H2; 4 Diatomâ#x80;#x93;Diatom Collisions: SiOâ#x80;#x93;H2; 5 Radiative Processes in Collisions of Atoms and Ions; 5.1 Radiative Charge Transfer: Carbon Atoms with He+ Ions
5.2 Radiative Association: Carbon Atoms with H+ Ions6 Summary; References; Phenomenology of Strange Resonances; 1 Introduction; 2 HRG and the Strangeness Sectors on the Lattice; 3 Results and Their Interpretation; 4 Performance on the Hazel Hen System; References; Real-Time Lattice Simulations of Quantum Anomalies, Topologies and Particle Production in Strongly Correlated Gauge Theories; 1 Introduction; 2 Project Objectives Reached; 2.1 Transient Anomalous Charge Production from Coherent Color Fields Out-of-Equilibrium; 2.2 Anomalous Transport in Ultra-Relativistic Heavy Ion Collisions
2.2.1 Transport Phenomena from Lattice Simulations2.2.2 Simulating Overlap Fermions in Real Time; 2.3 Anomalous Dynamical Refringence in QED Experiments Beyond the Schwinger Limits; 2.4 Technical Developments; 2.4.1 Operator Improvements; 2.4.2 Wilson Averaging; 3 Outlook; References; Many-Body Effects in Fragmented, Depleted, and Condensed Bosonic Systems in Traps and Optical Cavities by MCTDHB and MCTDH-X; 1 Introductory Notes; 2 ``Social'' Dynamics of Ultra-Cold Atoms Trapped in Between Two Mirrors Together with Light; 3 Phantom Vortices Across Different Bose Gases
4 Dynamics Generated by Hubbard Hamiltonians with MCTDH-X: Splitting of a Two-Dimensional BEC5 Overlap of Exact and Gross-Pitaevskii Wave-Functions in Trapped Bose-Einstein Condensates of Dilute Gases; 6 Uncertainty Product of an Out-of-Equilibrium Trapped BEC; 7 Variance as a Sensitive Probe for Attribution of Many-Body Excitations and De-Excitations in Trapped BECs; 8 Many-Body Effects in the Excitation Spectrum of Weakly-Interacting BECs Trapped in Finite 1D Optical Lattices; 9 Brief Summary and Future Perspectives; References; Part II Molecules, Interfaces, and Solids