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Contribution List

Displaying 39 contributions out of 39
Session: Ab-initio study of Co2MnSi (001) surface and Co2MnSi/GaAs (001) interface
Session: Ab-initio theory of alloys: new possibilities for materials design
Session: An efficient and accurate Car-Parrinello-like approach to Born-Oppenheimer molecular dynamics
Session: BREAKFAST (coffee and pastries) outside Main Lecture Hall
Session: CONCLUDING REMARKS - Chairperson: R. MARTIN
Session: Car-Parrinello Molecular Dynamics Simulation Studies on Supercritical Carbon Dioxide
Session: Charge ordering as alternative to Jahn-Teller distortion
Session: Defects on TiO2 surfaces
Session: Electron-Phonon interaction with electron and lattice Wannier functions and superconductivity in Boron-doped diamond
Session: Electronic structure of strongly correlated systems with dynamical mean-field theory: status report and perspectives
Session: Electronic structure trends in transition metal oxides: the NMTO+DMFT approach
Session: Equation of state and Raman frequency of diamond from quantum Monte Carlo
Session: Exact-exchange based quasiparticle energy calculations applied to (transition) metal nitrides: ScN and InN
Session: Exploring Chemical Reactivity in Biological Systems with Hybrid QM/MM Methods
Session: Fast GW calculations using ultra-localized Wannier functions
Session: First-principles calculations of capacitors at finite bias potential
Session: Geometric phases, distribution of electron charge centers, Wannier functions and bonding in materials
Session: Harnessing quantum fluctuations: design, physics and nanomechanics of Casimir-Lifshitz forces and QED torques
Session: Many-body and time-dpendent DFT methods to evaluate electron total energies
Session: Mechanical properties of brittle solids studied with the "learn on the fly" hybrid MD scheme
Session: Non-adiabatic vibrations in doped graphene
Session: OPENING - Professor Katepalli R. SREENIVASAN - Director
Session: Orbital magnetization in periodic solids and its connection to NMR
Session: Pressure Induced Complexity in Light Alkalies
Session: Pressure Induced the Phase Transition in Nano-cluster and Nano-tubes
Session: Promising path to DFT for sparse matter - a functional with Van der Waals interactions
Session: Quantum Monte Carlo Simulations of Dense Hydrogen
Session: Quantum mechanics in a commoving frame: An emergence of time-dependent deformation functional theory
Session: Self-consistent GW electronic structure of solids
Session: Self-interaction correlation calculations of f-electron materials
Session: Simulations of Hydrogenated Amorphous Silicon
Session: Spin-dependent all-electron tunneling through junctions
Session: The Evolution of the Pseudopotential Method for Computational Materials Science
Session: The first principle prediction of crystal structure by combining knowledge methods with first principles energy methods
Session: Time-dependent density functional theory: An overview
Session: Turbocharging TDDFT using Lanczos chains
Session: Vibronic effects in electron transport through atomic and molecular systems
Session: van der Waals coefficients in DFT: a simple approximation for the polarizability
Session: von Neumann Lattices and Wannier Functions

Organizers

Directors: N. Marzari, P.J. Ordejon, S. Scandolo