Anubhav Jain - Dissemin

Papers authored by Anubhav Jain

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2015 Hong Zhu, Geoffroy Hautier, Umut Aydemir, Zachary M. Gibbs, Guodong Li, Saurabh Bajaj, Jan-Hendrik Pöhls, Danny Broberg, Wei Chen

, Anubhav Jain

, Mary Anne White, Mark Asta

, G. Jeffrey Snyder, Kristin Persson, Gerbrand Ceder

Computational and experimental investigation of TmAgTe₂and XYZ₂compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

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Anubhav Jain

, Geoffroy Hautier, Shyue Ping Ong

, Stephen Dacek, Gerbrand Ceder

Relating voltage and thermal safety in Li-ion battery cathodes: a high-throughput computational study

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Jie Yu, Qimin Yan, Wei Chen

, Anubhav Jain

, Jeffrey B. Neaton, Kristin A. Persson

First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst

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This paper is made freely available by the publisher.

2014 Miao Liu, Ziqin Rong, Rahul Malik, Pieremanuele Canepa, Anubhav Jain

, Gerbrand Ceder, Kristin A. Persson

Spinel Compounds as Multivalent Battery Cathodes: A Systematic Evaluation Based on ab initio Calculations

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Ivano Eligio Castelli, Falco Jonas Hüser, Mohnish Pandey, Hong Li, Kristian Sommer Thygesen

, Brian Seger

, Anubhav Jain

, Kristin A. Persson, Gerbrand Ceder, Karsten Wedel Jacobsen

New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations

Download from orbit.dtu.dk

2013 Geoffroy Hautier, Anubhav Jain

, Tim Mueller, Charles Moore, Shyue Ping Ong

, Gerbrand Ceder

Designing Multielectron Lithium-Ion Phosphate Cathodes by Mixing Transition Metals

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Shyue Ping Ong

, William Davidson Richards, Anubhav Jain

, Geoffroy Hautier, Michael Kocher, Shreyas Cholia

, Dan Gunter, Vincent L. Chevrier, Kristin A. Persson, Gerbrand Ceder

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

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Anubhav Jain

, Shyue Ping Ong

, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia

, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Download from dx.doi.org

This paper was not found in any repository, but could be made available legally by the author.

Anubhav Jain

, Ivano E. Castelli, Geoffroy Hautier, David H. Bailey, Karsten W. Jacobsen

Performance of genetic algorithms in search for water splitting perovskites

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2012 Xiaohua Ma, Geoffroy Hautier, Anubhav Jain

, Robert Doe, Gerbrand Ceder

Improved Capacity Retention for LiVO₂by Cr Substitution

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Dan Gunter, Shreyas Cholia

, Anubhav Jain

, Michael Kocher, Kristin Persson, Lavanya Ramakrishnan, Shyue Ping Ong

, Gerbrand Ceder

Community Accessible Datastore of High-Throughput Calculations: Experiences from the Materials Project

Download from citeseerx.ist.psu.edu

Anubhav Jain

, Geoffroy Hautier, Charles Moore, Byoungwoo Kang, Jinhyuk Lee, Hailong Chen, Nancy Twu, Gerbrand Ceder

A Computational Investigation of Li₉M₃(P₂O₇)₃(PO₄)₂(M = V, Mo) as Cathodes for Li Ion Batteries

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Geoffroy Hautier, Shyue Ping Ong

, Anubhav Jain

, Charles Jacob Moore, Gerbrand Ceder

Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

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Bullet Shyue, Geoffroy Auteur hautier@uclouvain be 279228 Ucl Hautier, Anubhav Jain

, Shyue Ping Ong

, Anubhav Jain Auteur, Shyue Ping Ong Auteur

From the computer to the laboratory: materials discovery and design using first-principles calculations

Download from dspace.mit.edu

Hailong Chen, Geoffroy Hautier, Anubhav Jain

, Charles Moore, Byoungwoo Kang, Robert Doe, Lijun Wu, Yimei Zhu, Yuanzhi Tang, Gerbrand Ceder

Carbonophosphates: A New Family of Cathode Materials for Li-Ion Batteries Identified Computationally

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2011 Tim Mueller, Geoffroy Hautier, Anubhav Jain

, Gerbrand Ceder

Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing

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Geoffroy Hautier, Anubhav Jain

, Shyue Ping Ong, Byoungwoo Kang, Charles Moore, Robert Doe, Gerbrand Ceder

Phosphates as Lithium-Ion Battery Cathodes: An Evaluation Based on High-Throughput ab Initio Calculations

Download from iopscience.iop.org

Anubhav Jain

, Geoffroy Hautier, Shyue Ping Ong

, Charles J. Moore, Christopher C. Fischer, Kristin A. Persson, Gerbrand Ceder

Formation enthalpies by mixing GGA and GGA+Ucalculations

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G. Ceder, G. Hautier, A. Jain

, S. P. Ong

Recharging lithium battery research with first-principles methods

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Anubhav Jain

, Geoffroy Hautier, Charles J. Moore, Shyue Ping Ong

, Shyue Ping Ong, Christopher C. Fischer, Tim Mueller, Kristin A. Persson, Gerbrand Ceder

A high-throughput infrastructure for density functional theory calculations

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Papers authored by Anubhav Jain