재정 지원 요구사항을 통해 공개된 자료 - Geoffroy Hautier자세히 알아보기
제공된 곳이 없음: 3
Influence of Surface Adsorption on the Oxygen Evolution Reaction on IrO2(110)
DY Kuo, JK Kawasaki, JN Nelson, J Kloppenburg, G Hautier, KM Shen, ...
Journal of the American Chemical Society 139 (9), 3473-3479, 2017
재정 지원 요구사항 정책: US National Science Foundation, National Fund for Scientific Research, Belgium
Solving the Li7La3Zr2O12 electrochemical stability window puzzle
Y Benabed, A Vanacker, G Foran, S Rousselot, G Hautier, M Dollé
Materials Today Energy 35, 101320, 2023
재정 지원 요구사항 정책: Natural Sciences and Engineering Research Council of Canada
Phonon-limited electronic transport through first principles
R Claes, S Poncé, GM Rignanese, G Hautier
Nature Reviews Physics, 1-18, 2025
재정 지원 요구사항 정책: European Commission
제공된 곳이 있음: 117
LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
R Nelson, C Ertural, J George, VL Deringer, G Hautier, R Dronskowski
Journal of computational chemistry 41 (21), 1931-1940, 2020
재정 지원 요구사항 정책: European Commission
The thermodynamic scale of inorganic crystalline metastability
W Sun, ST Dacek, SP Ong, G Hautier, A Jain, WD Richards, AC Gamst, ...
Science advances 2 (11), e1600225, 2016
재정 지원 요구사항 정책: US Department of Energy
Thinking like a chemist: intuition in thermoelectric materials
WG Zeier, A Zevalkink, ZM Gibbs, G Hautier, MG Kanatzidis, GJ Snyder
Angewandte Chemie International Edition 55 (24), 6826-6841, 2016
재정 지원 요구사항 정책: US Department of Energy
Identification and design principles of low hole effective mass p-type transparent conducting oxides
G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze
Nature communications 4 (1), 2292, 2013
재정 지원 요구사항 정책: Research Foundation (Flanders)
The thermoelectric properties of bismuth telluride
IT Witting, TC Chasapis, F Ricci, M Peters, NA Heinz, G Hautier, ...
Advanced Electronic Materials 5 (6), 1800904, 2019
재정 지원 요구사항 정책: US National Science Foundation
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
재정 지원 요구사항 정책: US National Science Foundation, US Department of Energy, National Fund for …
FireWorks: a dynamic workflow system designed for high‐throughput applications
A Jain, SP Ong, W Chen, B Medasani, X Qu, M Kocher, M Brafman, ...
Concurrency and Computation: Practice and Experience 27 (17), 5037-5059, 2015
재정 지원 요구사항 정책: US Department of Energy
Engineering half-Heusler thermoelectric materials using Zintl chemistry
WG Zeier, J Schmitt, G Hautier, U Aydemir, ZM Gibbs, C Felser, GJ Snyder
Nature Reviews Materials 1 (6), 1-10, 2016
재정 지원 요구사항 정책: US Department of Energy
New frontiers for the materials genome initiative
JJ de Pablo, NE Jackson, MA Webb, LQ Chen, JE Moore, D Morgan, ...
npj Computational Materials 5 (1), 41, 2019
재정 지원 요구사항 정책: US National Science Foundation, US Department of Energy
Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment
W Chen, JH Pöhls, G Hautier, D Broberg, S Bajaj, U Aydemir, ZM Gibbs, ...
J. Mater. Chem 100 (4), 4414-4426, 2016
재정 지원 요구사항 정책: US Department of Energy, National Fund for Scientific Research, Belgium …
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
재정 지원 요구사항 정책: US National Science Foundation, US Department of Energy, National Fund for …
New opportunities for materials informatics: resources and data mining techniques for uncovering hidden relationships
A Jain, G Hautier, SP Ong, K Persson
Journal of Materials Research 31 (8), 977-994, 2016
재정 지원 요구사항 정책: US Department of Energy
Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO2(110): A Discussion of the Sabatier Principle and Its Role in …
DY Kuo, H Paik, J Kloppenburg, B Faeth, KM Shen, DG Schlom, G Hautier, ...
Journal of the American Chemical Society 140 (50), 17597-17605, 2018
재정 지원 요구사항 정책: US National Science Foundation, US Department of Energy, National Fund for …
Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
L He, F Liu, G Hautier, MJT Oliveira, MAL Marques, FD Vila, JJ Rehr, ...
Physical Review B 89 (6), 064305, 2014
재정 지원 요구사항 정책: National Fund for Scientific Research, Belgium
Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states
DI Bilc, G Hautier, D Waroquiers, GM Rignanese, P Ghosez
Physical review letters 114 (13), 136601, 2015
재정 지원 요구사항 정책: National Fund for Scientific Research, Belgium
An ab initio electronic transport database for inorganic materials
F Ricci, W Chen, U Aydemir, GJ Snyder, GM Rignanese, A Jain, G Hautier
Scientific data 4 (1), 1-13, 2017
재정 지원 요구사항 정책: US Department of Energy, National Fund for Scientific Research, Belgium
PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators
D Broberg, B Medasani, NER Zimmermann, G Yu, A Canning, ...
Computer Physics Communications 226, 165-179, 2018
재정 지원 요구사항 정책: US Department of Energy, Fundação para a Ciência e a Tecnologia, Portugal …
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