Dynamical stabilization in delafossite nitrides for solar energy conversion NJ Szymanski, LN Walters, O Hellman, D Gall, SV Khare
Journal of Materials Chemistry A 6 (42), 20852-20860, 2018
28 2018 Low thermal conductivity in heteroanionic materials with layers of homoleptic polyhedra C Zhang, J He, R McClain, H Xie, S Cai, LN Walters, J Shen, F Ding, ...
Journal of the American Chemical Society 144 (6), 2569-2579, 2022
27 2022 First-principles hydrothermal synthesis design to optimize conditions and increase the yield of quaternary heteroanionic oxychalcogenides LN Walters, C Zhang, VP Dravid, KR Poeppelmeier, JM Rondinelli
Chemistry of Materials 33 (8), 2726-2741, 2021
25 2021 Design of heteroanionic Moon exhibiting a peierls metal-insulator transition NJ Szymanski, LN Walters, D Puggioni, JM Rondinelli
Physical review letters 123 (23), 236402, 2019
22 2019 A correlated ferromagnetic polar metal by design J Zhang, S Shen, D Puggioni, M Wang, H Sha, X Xu, Y Lyu, H Peng, ...
Nature materials 23 (7), 912-919, 2024
17 2024 First-principles-based prediction of electrochemical oxidation and corrosion of copper under multiple environmental factors LN Walters, LF Huang, JM Rondinelli
The Journal of Physical Chemistry C 125 (25), 14027-14038, 2021
15 2021 Thermodynamic descriptors to predict oxide formation in aqueous solutions LN Walters, EL Wang, JM Rondinelli
The Journal of Physical Chemistry Letters 13 (26), 6236-6243, 2022
12 2022 AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories Y Fei, B Rendy, R Kumar, O Dartsi, HP Sahasrabuddhe, MJ McDermott, ...
Digital Discovery 3 (11), 2275-2288, 2024
5 2024 Isomeric and structural effects in polymer cononsolvent systems X Lang, EX Xu, Y Wei, LN Walters, MJA Hore
Polymer 170, 190-197, 2019
5 2019 Density Functional Theory-Based Thermodynamic Model for Stable Scale Formation in Lead-Water Systems LN Walters, AT Tai, RJ Santucci, JR Scully, JM Rondinelli
The Journal of Physical Chemistry C 126 (39), 16841-16850, 2022
4 2022 Thermodynamic and Electrochemical Models for Predicting Aqueous Materials Formation LN Walters
Northwestern University, 2022
1 2022 Synthetic accessibility and sodium ion conductivity of the Na LN Walters, Y Fei, B Rendy, X Yang, M Diallo, KJ Jun, G Wei, ...
arXiv preprint arXiv:2501.03165, 2025
2025 Metallicity and chemical bonding in anti-anatase Mo 2 N LN Walters, JM Rondinelli
Physical Chemistry Chemical Physics 26 (8), 6717-6725, 2024
2024 The Crystal Structure of BaZn2 Se2 (OH)2 Featuring Brownmillerite‐Type Layers C Zhang, Y Wang, KR Kamp, LN Walters, F Ding, JM Rondinelli, ...
Zeitschrift für anorganische und allgemeine Chemie 649 (14), e202300072, 2023
2023 First principles thermodynamic modeling of aqueous lead corrosion A Tai, L Walters, J Rondinelli
APS March Meeting Abstracts 2022, D47. 012, 2022
2022 Development of a quantitative down-selection descriptor for electrochemical oxidation L Walters, J Rondinelli, E Wang, LNW Team, ELW Team, JMR Team
APS March Meeting Abstracts 2022, W49. 005, 2022
2022 A MoON Race: Computational Design of a Heteroanionic Metal-Insulator Transition Compound Molybdenum Oxynitride L Walters, N Szymanski, D Puggioni, J Rondinelli
APS March Meeting Abstracts 2021, J56. 007, 2021
2021 First Principles Design of A Heteroanionic Metal-Insulator Transition Compound L Walters, N Szymanski, D Puggioni, J Rondinelli
Bulletin of the American Physical Society 65, 2020
2020 Targeted Synthesis Conditions of Layered Bismuth Oxychalcogenides Via Electrochemical Phase Diagrams L Walters, C Zhang, J Rondinelli
Bulletin of the American Physical Society 65, 2020
2020 Evaluating Species Stability with First Principles Calculations L Walters, LF Huang, J Rondinelli
APS March Meeting Abstracts 2019, Y19. 006, 2019
2019 