Joost VandeVondele - Publications, H-index & Citations

Joost VandeVondele

swiss federal institutes of technology domain

55H指数

143论文数

2.8W被引数

收录论文 62

发表时间

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations CP2K: 电子结构和分子动力学软件包-Quickstep: 高效准确的电子结构计算

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-05-19

2.3K

OAAI

Kuehne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schutt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valery; Borstnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Mueller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Gloss, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; VandeVondele, Joost; Krack, Matthias; Hutter, Jurg

Dynamics of the Bulk Hydrated Electron from Many-Body Wave-Function Theory 来自多体波函数理论的大量水合电子的动力学

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2019-02-18

OAAI

Wilhelm, Jan; VandeVondele, Joost; Rybkin, Vladimir V.

Decisive Role of Perimeter Sites in Silica-Supported Ag Nanoparticles in Selective Hydrogenation of CO2 to Methyl Formate in the Presence of Methanol

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2018-09-30

OAAI

Corral-Perez, Juan Jose; Bansode, Atul; Praveen, C. S.; Kokalj, Anton; Reymond, Helena; Comas-Vives, Aleix; VandeVondele, Joost; Coperet, Christophe; von Rohr, Philipp Rudolf; Urakawa, Atsushi

Microcanonical RT-TDDFT simulations of realistically extended devices

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-09-24

PREAI

Andermatt, Samuel; Bani-Hashemian, Mohammad Hossein; Ducry, Fabian; Bruck, Sascha; Clima, Sergiu; Pourtois, Geoffrey; VandeVondele, Joost; Luisier, Mathieu

Machine Learning Adaptive Basis Sets for Efficient Large Scale Density Functional Theory Simulation

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-06-29

OAAI

Schuett, Ole; VandeVondele, Joost

Efficient algorithms for large-scale quantum transport calculations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-08-21

PREAI

Bruck, Sascha; Calderara, Mauro; Bani-Hashemian, Mohammad Hossein; VandeVondele, Joost; Luisier, Mathieu

Hydrogen Adsorption on Nanosized Platinum and Dynamics of Spillover onto Alumina and Titania

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-08-09

PREAI

Spreafico, Clelia; Karim, Waiz; Ekinci, Yasin; van Bokhoven, Jeroen A.; VandeVondele, Joost

First-Principles Monte Carlo Simulations of Reaction Equilibria in Compressed Vapors

ACS CENTRAL SCIENCE

IF10.4

2016-06-13

OAAI

Fetisov, Evgenii O.; Kuo, I-Feng William; Knight, Chris; VandeVondele, Joost; Van Voorhis, Troy; Siepmann, J. Ilja

Combining Linear-Scaling DFT with Subsystem DFT in Born Oppenheimer and Ehrenfest Molecular Dynamics Simulations: From Molecules to a Virus in Solution

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-06-09

PREAI

Andermatt, Samuel; Cha, Jinwoong; Schiffmann, Florian; VandeVondele, Joost

Spin-Unrestricted Second-Order Moller-Plesset (MP2) Forces for the Condensed Phase: From Molecular Radicals to F-Centers in Solids

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2016-04-06

PREAI

Rybkin, Vladimir V.; VandeVondele, Joost

Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-02-05

OAAI

Kapil, V.; VandeVondele, J.; Ceriotti, M.

A generalized Poisson solver for first-principles device simulations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-01-29

PREAI

Bani-Hashemian, Mohammad Hossein; Brueck, Sascha; Luisier, Mathieu; VandeVondele, Joost

Reductive Hydrogenation of the Aqueous Rutile TiO2(110) Surface

ELECTROCHIMICA ACTA

IF5.6

2015-10-01

PREAI

Cheng, Jun; Liu, Xiandong; VandeVondele, Joost; Sprik, Michiel

Molecular Ordering at the Interface Between Liquid Water and Rutile TiO2(110)

ADVANCED MATERIALS INTERFACES

IF4.4

2015-09-01

OAAI

Serrano, Giulia; Bonanni, Beatrice; Di Giovannantonio, Marco; Kosmala, Tomasz; Schmid, Michael; Diebold, Ulrike; Di Carlo, Aldo; Cheng, Jun; VandeVondele, Joost; Wandelt, Klaus; Goletti, Claudio

Probing the structural and dynamical properties of liquid water with models including non-local electron correlation

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-08-05

OAAI

Del Ben, Mauro; Hutter, Juerg; VandeVondele, Joost

Efficient preconditioning of the electronic structure problem in large scale ab initio molecular dynamics simulations

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2015-06-30

PREAI

Schiffmann, Florian; VandeVondele, Joost