14th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods

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Speaker List

Displaying 27 speakers out of 27

ALEX ZETTL (UC Berkeley, USA)

Exploiting the Electronic, Thermal, and Mechanical Properties of Carbon and BN Nanostructures

ALI ALAVI (Cambridge, UK)

Fermion Quantum Monte Carlo in slater determinant spaces: A game of life, death and annihilation

BEATE PAULUS (Freie Universität Berlin, Germany)

Explicitly correlated ab initio methods for metals

CHRIS PICKARD (St. Andrews, UK)

Ab-initio random structure searching: A window on structure space

CLAUDIO ATTACCALITE (U. del Pais Vasco, San Sebastian, Spain)

Electron correlation in graphene: band structure and electron-phonon interaction from GW

DAVIDE CERESOLI (MIT, Cambridge, USA)

Ab-initio pseudopotential calculations of the orbital magnetization

DAVIDE DONADIO (UC Davis, USA)

Thermal transport at the nanoscale

GEOFFREY STENUIT (CNR-INFM Democritos, Trieste, Italy)

Bridging the size gap between density-functional and many-body perturbation theory

GIAN-MARCO RIGNANESE (Univ. Catholique de Louvain, Belgium)

Band offsets from many-body perturbation theory

GIANNI PROFETA (Università degli Studi dell'Aquila, Italy)

Hydrogen superconductivity and other superconductors

GIULIA GALLI (UC Davis, USA)

Efficient evaluation of dielectric matrices for ab-initio calculations of excited state properties and correlation energies

HUY-VIET NGUYEN (Hanoi National University of Education, Viet Nam and SISSA, Trieste, Italy)

Efficient and accurate calculation of exact exchange and RPA correlation energies in ACFD theory

ISMAILA DABO (INRIA and Université Paris-Est, France)

First-principles electrochemistry

JEFF NEATON (Molecular Foundry, LBNL, Berkeley, USA)

First-principles studies of single-molecule junction conductance: Links, length, and switching

JOSE SOLER (Universidad Autónoma de Madrid, Spain)

Efficient first-principles van der Waals density functional forces

K.R. SREENIVASAN (ICTP Director)

Welcoming Remarks and Presentation of the Award

K.R. SREENIVASAN ICTP DIRECTOR, AND ORGANIZERS

Welcoming Remarks

KARSTEN REUTER (FHI-MPG, Berlin, Germany)

Towards an error-controlled multi-scale catalysis modeling

LILIA BOERI (MPI-FKF, Stuttgart, Germany)

DFT studies of FeAs superconductors

LUCIA REINING (École Polytechnique, Palaiseau, France)

Correlation in electronic excitations

ORGANIZERS

Introduction of Keynote Speaker

ROBERTO CAR (Princeton U., Princeton, USA)

Quantum protons in hydrogen bonded systems

RON COHEN (Carnegie Institution, USA)

Quantum Monte Carlo simulations of behavior at extreme conditions

ROSA DI FELICE (INFM-CNR, Modena, Italy)

Computational investigation of DNA derivatives for nano-electronics

TROY VAN VOORHIS (MIT, Cambridge, USA)

Constrained DFT for electron transfer and reaction barrier heights

YOUNG-WOO SON (KIAS, Seoul, Korea)

Energy gaps in graphene superstructures

ZHONG FANG (Center for Quantum Simulation Sciences, CAS, Beijing, China)

LDA+Gutzwiller method for correlated electron systems

Organizers

R. Gebauer, F. Mauri, D. Vanderbilt