Kristin A. Persson

发表

A Community Contribution Framework for Sharing Materials Data with Materials Project

Patrick Huck, Anubhav Jain, Dan Gunter, 2015, 2015 IEEE 11th International Conference on e-Science.

The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

Anubhav Jain, Dan Gunter, Kristin A. Persson, 2015 .

Materials Acceleration Platform: Accelerating Advanced Energy Materials Discovery by Integrating High-Throughput Methods and Artificial Intelligence.

Alán Aspuru-Guzik, Kristin A. Persson, Alán Aspuru-Guzik, 2018 .

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

Lavanya Ramakrishnan, Anubhav Jain, Dan Gunter, 2012, 2012 SC Companion: High Performance Computing, Networking Storage and Analysis.

Active learning for accelerated design of layered materials

Patrick Huck, Kristin A. Persson, Muratahan Aykol, 2018, npj Computational Materials.

Designing Materials for our Energy Future

A. Jain, Kristin A. Persson, Gerbrand Ceder, 2008 .

FireWorks: a dynamic workflow system designed for high‐throughput applications

Wei Chen, Xiaohui Qu, Anubhav Jain, 2015, Concurr. Comput. Pract. Exp..

Harnessing the Materials Project for machine-learning and accelerated discovery

Anubhav Jain, Kristin A. Persson, Shyue Ping Ong, 2018, MRS Bulletin.

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

Anubhav Jain, Dan Gunter, Kristin A. Persson, 2012 .

User applications driven by the community contribution framework MPContribs in the Materials Project

Patrick Huck, Dan Gunter, Kristin A. Persson, 2015, Concurr. Comput. Pract. Exp..

Energy storage emerging: A perspective from the Joint Center for Energy Storage Research

Linda F. Nazar, Kristin A. Persson, Gerbrand Ceder, 2020, Proceedings of the National Academy of Sciences.

High-Throughput Computational Search for new Li-ion Battery Cathode Materials

A. Jain, Kristin A. Persson, Gerbrand Ceder, 2009 .

Accelerating the discovery of materials for clean energy in the era of smart automation

Alán Aspuru-Guzik, Semion K. Saikin, Christoph J. Brabec, 2018, Nature Reviews Materials.

A High-Throughput Computational Search for new Lithium-Ion Battery Cathode Materials

A. Jain, Kristin A. Persson, Gerbrand Ceder, 2010 .

Piezoelectric Tensor Data

Kristin A. Persson, Mark Asta, Wei Chen, 2018 .

(Battery Division Student Research Award Address Sponsored by Mercedes-Benz Research & Development) Investigating Anomalous Conductivity in Low Permittivity Electrolytes for Multivalent Battery Applications

Kristin A. Persson, Nathan T. Hahn, Julian Self, 2020 .

ThePrediction of Crystal Structure with Knowledge Methods as a Crucial Ingredient towards Computational Materials Design

Kristin A. Persson, Gerbrand Ceder, Geoffroy Hautier, 2008 .

Matminer: An open source toolkit for materials data mining

Kyle Chard, Ian Foster, Anubhav Jain, 2018, Computational Materials Science.

Accelerating materials design with first principles calculations and machine learning

Kristin A. Persson, Gerbrand Ceder, Geoffroy Hautier, 2008 .

Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices

Kristin A. Persson, Steven K. Kauwe, Taylor D. Sparks, 2020 .

Assessing High-Throughput Descriptors for Prediction of Transparent Conductors

Anubhav Jain, Kristin A. Persson, Shyam Dwaraknath, 2018, Chemistry of Materials.

Unsupervised word embeddings capture latent knowledge from materials science literature

Olga Kononova, Anubhav Jain, Kristin A. Persson, 2019, Nature.

Alkyltin Keggin clusters as EUVL photoresist technology

Kristin A. Persson, Lev N. Zakharov, May Nyman, 2019, Photomask Technology.

Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies

Ichiro Takeuchi, Kristin A. Persson, John M. Gregoire, 2017 .

Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations.

Kristin A. Persson, Xiaowei Xie, David W. Small, 2020, Journal of chemical theory and computation.

Invited) Design and Realization of New Thermochemically Active Materials

Ryan O'Hayre, Kristin A. Persson, Shyam Dwaraknath, 2017 .

High-throughput ab initio computations for materials discovery and the Materials project Database

Kristin A. Persson, Shyue Ping Ong, Gerbrand Ceder, 2012 .

A high-throughput framework for determining adsorption energies on solid surfaces

Kristin A. Persson, Joseph H. Montoya, K. Persson, 2017, npj Computational Materials.

The Materials Project: Accelerating Materials Design Through Theory-Driven Data and Tools

Patrick Huck, Anubhav Jain, Kristin A. Persson, 2020, Handbook of Materials Modeling.

Research data supporting "Large scale computational screening and experimental discovery of novel materials for high temperature CO2 capture"

Wen Liu, Anubhav Jain, Kristin A. Persson, 2016 .

(Invited) The Materials Project: Milestones, Challenges, and Opportunities in High-Throughput Computational Materials Science

Kristin A. Persson, Joseph Montoya, 2017 .

PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds

Hong Ding, Wei Chen, Maciej Haranczyk, 2015, Comput. Phys. Commun..

Computational Design of Functional Materials

Kristin A. Persson, Jean-Luc Brédas, Ram Seshadri, 2017 .

Charting the complete elastic properties of inorganic crystalline compounds

Cormac Toher, Stefano Curtarolo, Anthony Gamst, 2015, Scientific Data.

Electrical Energy Storage Factual Status Document: Resource Document for the Workshop on Basic Research Needs for Next Generation Electrical Energy Storage, March 2017

Kristin A. Persson, Venkat Srinivasan, Jun Liu, 2017 .

Computational predictions of energy materials using density functional theory

Anubhav Jain, Kristin A. Persson, Yongwoo Shin, 2016 .

YCuTe2: a member of a new class of thermoelectric materials with CuTe4-based layered structure

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder, 2016 .

Distinct Solid‐Electrolyte‐Interphases on Sn (100) and (001) Electrodes Studied by Soft X‐Ray Spectroscopy

Robert Kostecki, Kristin A. Persson, Xiaosong Liu, 2014 .

Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments

Kristin A. Persson, Douglas A. Keszler, Paul Ha-Yeon Cheong, 2017, Nature Communications.

Formation enthalpies by mixing GGA and GGA + U calculations

Anubhav Jain, Kristin A. Persson, Shyue Ping Ong, 2011 .

Erratum: Computational and experimental investigation of TmAgTe2 and: XYZ 2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening (Journal of Materials Chemistry C (2015) 3 (10554-10565))

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder, 2016 .

Electrochemical Stability of Metastable Materials

Kristin A. Persson, Joseph Montoya, Santosh K. Suram, 2017 .

Computational and experimental investigation of TmAgTe2 and XYZ2 compounds, a new group of thermoelectric materials identified by first-principles high-throughput screening

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder, 2015 .

Elucidating Solvation Structures for Rational Design of Multivalent Electrolytes—A Review

Kristin A. Persson, Nav Nidhi Rajput, Brandon M. Wood, 2018, Topics in Current Chemistry.

Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations

Rahul Malik, Anubhav Jain, Kristin A. Persson, 2014 .

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder, 2016 .

The Stuff of Dreams

Kristin A. Persson, Gerbrand Ceder, 2013 .

Efficient Discovery of Optimal N-Layered TMDC Hetero-Structures

Kristin A. Persson, Muratahan Aykol, David J. Singh, 2018, MRS Advances.

Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index

Fritz B. Prinz, Kristin A. Persson, Geoffroy Hautier, 2016 .

Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

Anubhav Jain, Kristin A. Persson, Bryce Meredig, 2016 .

Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries

Kristin A. Persson, Gerbrand Ceder, Nav Nidhi Rajput, 2015, 1511.02504.

Widening Electrochemical Window of Mg Salt by Weakly Coordinating Perfluoroalkoxyaluminate Anion for Mg Battery Electrolyte

Kristin A. Persson, Kevin R. Zavadil, Brian J. Ingram, 2019, Journal of The Electrochemical Society.

Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries

Kristin A. Persson, Sean E. Doris, Ashleigh L. Ward, 2017, ACS central science.

Nucleation of metastable aragonite CaCO[subscript 3] in seawater

Wei Chen, Kristin A. Persson, Gerbrand Ceder, 2015 .

First-Principles Investigation of the Li-Fe-F Phase Diagram and Equilibrium and Nonequilibrium Conversion Reactions of Iron Fluorides with Lithium

Kristin A. Persson, Gerbrand Ceder, Robert E. Doe, 2008 .

Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments

Kristin A. Persson, Santosh K. Suram, Jie Yu, 2017 .

New Light‐Harvesting Materials Using Accurate and Efficient Bandgap Calculations

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder, 2015 .

Surface energies of elemental crystals

Kristin A. Persson, Shyue Ping Ong, Wenhao Sun, 2016, Scientific Data.

Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states

Kristin A. Persson, Gerbrand Ceder, G. Ceder, 2012 .

First principles high throughput screening of oxynitrides for water-splitting photocatalysts

Kristin A. Persson, Gerbrand Ceder, Geoffroy Hautier, 2013 .

A high capacity thiospinel cathode for Mg batteries

Linda F. Nazar, Kristin A. Persson, Gerbrand Ceder, 2016 .

Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1,3-Dioxolane and 1,2-Dimethoxyethane

Kristin A. Persson, Nav Nidhi Rajput, Niranjan Govind, 2019, Chemistry of Materials.

World changing ideas.

Kristin A. Persson, Gerbrand Ceder, 2013 .

propnet: A Knowledge Graph for Materials Science

Anubhav Jain, Kristin A. Persson, Vahe Tshitoyan, 2020, Matter.