Publications

Title Author Year Publication type
Alkali-Ion-Assisted Activation of ε-VOPO4 as a Cathode Material for Mg-Ion Batteries Sari, D.; Rutt, A.; Kim, J.; Chen, Q.; Hahn, N. T.; Kim, H.; Persson, K. A.; Ceder, G. 2025 Journal Article
Machine Learned Potential for High-Throughput Phonon Calculations of Metal-Organic Frameworks Elena, A. M.; Kamath, P. D.; Inizan, T. J.; Rosen, A. S.; Zanca, F.; Persson, K. A. 2025 Journal Article
High-Coherence Kerr-Cat Qubit in 2D Architecture 2025 Journal Article
Entropic Effects on Diamine Dynamics and CO2 Capture in Diamine-Appended Mg2(dopbdc) Metal–Organic Frameworks Shaidu Y; DeSnoo W; Smith A; Taw E; Perkins CL; Neaton JB; Neaton JB 2025 Journal Article
Phonon screening and dissociation of excitons at finite temperatures from first principles Alvertis M; Haber JB; Li Z; Coveney CJN; Louie SG; Filip MR; Neaton JB 2025 Journal Article
AlabOS: a Python-based reconfigurable workflow management framework for autonomous laboratories Fei Y; Rendy B; Kumar R; Dartsi O; Sahasrabuddhe HP; McDermott MJ 2025 Journal Article
A dynamically bare metal interface enables reversible magnesium electrodeposition at 50 mAh cm2 Guha, R. D.; Vargas, S.; Spotte-Smith, E. W. C.; Epstein, A. R.; Venetos, M.; Kingsbury, R.; Wen, M.; Blau, S.; Persson, K. A. 2025 Journal Article
Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes Kim, J.; Sari, D.; Chen, Q.; Ceder, G.; Persson, K. A. 2024 Journal Article
The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO2 Phase Stability Ronald L. Kam; Luca Binci; Aaron D. Kaplan; Kristin A. Persson; Nicola Marzari; Gerbrand Ceder 2024 Journal Article
Excitations in layered materials from a non-empirical Wannier-localized optimally-tuned screened range-separated hybrid functional Camarasa-Gómez M; Gant SE; Ohad G; Neaton JB; Ramasubramaniam A; Kronik L 2024 Journal Article
The ab initio non-crystalline structure database: empowering machine learning to decode diffusivity Zheng, H.; Sivonxay, E.; Christensen, R.; Gallant, M.; Luo, Z.; McDermott, M.; Huck, P.; Smedskjær, M. M.; Persson, K. A. 2024 Journal Article
A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions Gallant, M. C.; McDermott, M. J.; Li, B.; Persson, K. A. 2024 Journal Article
Entropy as a Design Principle in the Photosystem II Supercomplex Hall JL; Yang SJ; Limmer DT; Fleming GR 2024 Journal Article
Colloidal Dispersions of Sterically and Electrostatically Stabilized PbS Quantum Dots: Structure Factors, Second Virial Coefficients, and Film-Forming Properties Ahhyun Jeong; Joshua Portner; Christian P. N. Tanner; Justin C. Ondry; Chenkun Zhou; Zehan Mi; Youssef A. Tazoui; Byeongdu Lee; Vivian R. K. Wall; Naomi S. Ginsberg; Dmitri V. Talapin 2024 Journal Article
Reversible Electron-Beam Patterning of Colloidal Nanoparticles at Fluid Interfaces Jonathan G. Raybin; Ethan J. Dunsworth; Veronica Guo; Naomi S. Ginsberg 2024 Journal Article
The role of manganese in CoMnOx catalysts for selective long-chain hydrocarbon production via Fischer-Tropsch synthesis Chen H; Lian Z; Zhao X; Wan J; Pieters PF; Oliver-Meseguer J; Yang J; Pach E; Carenco S; Treps L; Liakakos N; Shan Y; Altoe V; Wong E; Zhuo Z; Yang F; Su J; Guo J; Blum M; Lapidus SH; Hunt A; Waluyo I; Ogasawara H; Zheng H; Yang P; Bell AT; López N; Salmeron M 2024 Journal Article
Spin transport of a doped Mott insulator in moiré heterostructures Regan EC; Lu Z; Wang D; Zhang Y; Devakul T; Nie JH; Zhang Z; Zhao W; Watanabe K; Taniguchi T; Tongay S; Zettl A; Fu L; Wang F 2024 Journal Article
Structural and angle-resolved optical and vibrational properties of chiral trivial insulator InSeI Erdi M; Kapeghian J; Hays P; Dandu M; Blach DD; Sayyad M; Kopaczek J; Sailus R; Raja A; Susarla S; Botana AS; Tongay SA 2024 Journal Article
Collapse of susceptibility and nontrivial spin dynamics in the hyperhoneycomb magnet β − Li 2 IrO 3 under high pressure Verrier A; Nagarajan V; Gendron L-T; Analytis JG; Quilliam JA 2024 Journal Article
Three-dimensional dispersion in the type-II Dirac semimetals PtTe2 and PdTe2 revealed through circular dichroism in angle-resolved photoemission spectroscopy Pelayo I; Bergner D; Williams AJ; Qi J; Zhu P; Nabi M; Huey WLB; Moreschini L; Deng Z; Hadsell T; Denlinger J; Lanzara A; Lu YM; Windl W. Goldberger J; Ojeda-Aristizabal C 2024 Journal Article
Ultrafast optical control of charge orders in kagome metals Yu-Ping Lin; Vidya Madhavan; Joel E Moore 2024 Journal Article
Ultrafast optical control of charge orders in kagome metals Lin Y-P; Madhavan V; Moore JE 2024 Journal Article
Coherent Magneto-Conductance Oscillations in Amorphous Topological Insulator Nanowires Siddhant Mal; Elizabeth J Dresselhaus; Joel E Moore 2024 Journal Article
Flat band, tunable chiral anomaly, and pitchfork bifurcation in a honeycomb lattice Saroka VA; Kong F; Bogani L; Downing CA; Payod RB; Fischer FR; Sun X 2024 Journal Article
Spin-liquid-based topological qubits Klocke, K.; Liu, Y.; Halász, G. B.; Alicea, J. 2024 Journal Article
Microscopic Origin of Twist-Dependent Electron Transfer Rate in Bilayer Graphene Escalante LC; Limmer DT 2024 Journal Article
Performance of superconducting resonators suspended on SiN membranes Chistolini; Trevor; Kyunghoon Lee; Archan Banerjee; Mohammed Alghadeer; Christian Jünger; M. Virginia P. Altoé; Chengyu Song; Sudi Chen; Feng Wang; David I. Santiago; Irfan Siddiqi 2024 Journal Article
Degradation Mechanism of Phosphate-Based Li-NASICON Conductors in Alkaline Environment Lam BX; Li Z; Mishra TP; Ceder G 2024 Journal Article
Establishing coherent momentum-space electronic states in locally ordered materials Ciocys ST; Marsal Q; Corbae P; Varjas D; Kennedy E; Scott M; Hellman F; Grushin A; Lanzara A 2024 Journal Article
Evaluation of transition rates from nonequilibrium instantons Heller ER; Limmer DT 2024 Journal Article
Real-time propagation of adaptive sampling selected configuration interaction wave function Shee A; Huang Z; Head-Gordon M; Whaley KB 2024 Journal Article
Elucidating the Mechanism of Helium Evaporation from Liquid Water Polley K; Wilson KR; Limmer DT 2024 Journal Article
Sympathetic Mechanism for Vibrational Condensation Enabled by Polariton Optomechanical Interaction Shishkov VY; Andrianov ES; Tretiak S; Whaley KB; Zasedatelev AV 2024 Journal Article
A static quantum embedding scheme based on coupled cluster theory Shee, A.; Faulstich, F. M.; Whaley, K. B.; Lin, L.; Head-Gordon, M. 2024 Journal Article
Coherence in Chemistry: Foundations and Frontiers J.D. Shultz et al. Jonathan D. Schultz; Jonathon L. Yuly; Eric A. Arsenault; Kelsey Parker; Sutirtha N. Chowdhury; Reshmi Dani; Sohang Kundu; Hanggai Nuomin; Zhendian Zhang; Jesuś Valdiviezo; Peng Zhang; Kaydren Orcutt; Seogjoo J. Jang; Graham R. Fleming; Nancy Makri; Jennifer P. Ogilvie; Michael J. Therien; Michael R. Wasielewski; David N. Beratan 2024 Journal Article
Carbon dioxide capture from open air using covalent organic frameworks Zhou Z; Ma T; Zhang H; Chheda S; Li H; Wang K; Ehrling S; Giovine R; Li C; Alawadhi AH; Abduljawad MM; Alawad MO; Gagliardi L; Sauer J; Yaghi OM 2024 Journal Article
The development and applications of multidimensional biomolecular spectroscopy illustrated by photosynthetic light harvesting Graham R; Fleming and Gregory D.Scholes 2024 Journal Article
Low Contact Resistance WSe2 p-Type Transistors with Highly Stable, CMOS-Compatible Dopants Kim I; Higashitarumizu N; Rahman IR; Wang S; Kim HM; Geng J; Prabhakar RR; Ager III JW; Javey A 2024 Journal Article
Post-measurement Quantum Monte Carlo Baweja, K.; Luitz, D. J.; Garratt, S. J. 2024 Journal Article
Black Phosphorus for Mid-Infrared Optoelectronics: Photophysics, Scalable Processing, and Device Applications Higashitarumizu N; Wang S; Wang S; Kim H; Bullock J; Javey A 2024 Journal Article
Extending the computational reach of a superconducting qutrit processor Goss; Noah; Samuele Ferracin; Akel Hashim; Arnaud Carignan-Dugas; John Mark Kreikebaum; Ravi K 2024 Journal Article
Particle on a Rod: Surface-Tethered Catalyst on CdS Nanorods for Enzymatically Active Nicotinamide Cofactor Generation Jayasinghe L; Wei J; Kim J; Lineberry E; Yang P 2024 Journal Article
Direct Heterogeneous Integration of Molybdenum Disulfide via Spin-on Molecular Chemistry Balushi ZA; Im H; Gupta A; Lu D; Buckingham M; Ma K; Nemsak S; Higashitarumizu N; Rahman IR; Liang J; Wan J 2024 Journal Article
Chlorophyll to zeaxanthin energy transfer in nonphotochemical quenching: An exciton annihilation-free transient absorption study T.Y. Lee; L. Lam, D; Patel-Tupper; P.P. Roy; S.A. Ma; H.Lam, A; Lucas-Demott; N.G. Karavolias; M. Iwai; K.K. Niyogi; G.R. Fleming. PNAS 2024 Journal Article
Ion-Assisted Nanoscale Material Engineering in Atomic Layers Taghinejad H; Taghinejad M; Abdollahramezani S; Li Q; Woods EV; Analytis JG; Kavle P; Mangeri J; McConville D; Zhang H; Ramesh M 2024 Journal Article
Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo Rampal N; Wang K; Burigana M; Hou L; Al-Johani J; Sackmann A; Murayshid HS; AlSumari WA; AlAbdulkarim AM; Alhazmi NE; Alawad MO; Borgs C; Chayes JT; Yaghi OM 2024 Journal Article
Crystallography, Group Cohomology, and Lieb-Schultz-Mattis Constraints Chunxiao Liu; Weicheng Ye 2024 Journal Article
Distinguishing Surface and Bulk Reactivity: Concentration-Dependent Kinetics of Iodide Oxidation by Ozone in Microdroplets Prophet AM; Polley K; Brown EK; Limmer DT; Wilson KR 2024 Journal Article
Quantum resource-theoretical analysis of the role of vibrational structure in photoisomerization Tiwary, S.; Spaventa, G.; Huelga, S. F.; Plenio, M. B. 2024 Journal Article
Direct measurement of terahertz conductivity in a gated monolayer semiconductor Chen S; Feng Q; Zhao W; Qi R; Zhang Z; Abeysinghe D; Uzundal C; Xie J; Taniguchi T; Watanabe K; Wang F 2024 Journal Article