B. Savoie

发表

Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes

Brett M. Savoie, Thomas F. Miller, Geoffrey W. Coates, 2015, ACS central science.

Systematic evaluation of structure–property relationships in heteroacene – diketopyrrolopyrrole molecular donors for organic solar cells

M. Ratner, S. Stupp, A. Facchetti, 2017 .

Title Optimizing Ion Transport in Polyether-Based Electrolytes for Lithium Batteries Permalink

Thomas F. Miller, Q. Zheng, N. Balsara, 2018 .

Conformational order in aggregates of conjugated polymers.

M. Ratner, G. Schatz, M. Olvera de la Cruz, 2015, Journal of the American Chemical Society.

Tuning the interfacial and energetic interactions between a photoexcited conjugated polymer and open-shell small molecules.

Libai Huang, B. Savoie, Jordan M. Snaider, 2019, Soft matter.

Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.

R. J. Thomson, B. Savoie, R. Thomson, 2013, Journal of natural products.

Simple Analytic Description of Collection Efficiency in Organic Photovoltaics.

Mark A Ratner, Brett M Savoie, Tobin J Marks, 2013, The journal of physical chemistry letters.

Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks

B. Savoie, Qiyuan Zhao, 2020, Nature Computational Science.

Unraveling two distinct polymorph transition mechanisms in one n-type single crystal for dynamic electronics

Daniel W. Davies, S. Park, Ying Diao, 2021, Nature Communications.

Room-temperature cycling of metal fluoride electrodes: Liquid electrolytes for high-energy fluoride ion cells

Thomas F. Miller, C. M. Bates, Christopher M. Bates, 2018, Science.

The Scope and Limitations of Ternary Blend Organic Photovoltaics

M. Ratner, T. Marks, B. Savoie, 2015 .

100th Anniversary of Macromolecular Science Viewpoint: Recent Advances and Opportunities for Mixed Ion and Charge Conducting Polymers.

B. Savoie, B. Boudouris, Jaeyub Chung, 2020, ACS macro letters.

Interfacial Electron Transfer and Ion Solvation in the Solid Electrolyte Interphase

Thomas F. Miller, B. Savoie, Jeongmin Kim, 2020, The Journal of Physical Chemistry C.

Mesoscale molecular network formation in amorphous organic materials

Mark A. Ratner, George C. Schatz, Tobin J. Marks, 2014, Proceedings of the National Academy of Sciences.

Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains.

George C Schatz, Ankit Agrawal, Mark A Ratner, 2017, The journal of physical chemistry letters.

Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions.

George C Schatz, Mark A Ratner, Nicholas E Jackson, 2013, Journal of the American Chemical Society.

Ion-Solvent Interplay in Concentrated Electrolytes Enables Subzero Temperature Li-Ion Battery Operations.

V. Pol, H. Ramasamy, Soohwan Kim, 2022, ACS applied materials & interfaces.

Circularly Recyclable Polymers Featuring Topochemically Weakened Carbon-Carbon Bonds.

M. Cakmak, Jianguo Mei, K. Zhao, 2022, Journal of the American Chemical Society.

Temperature and pressure dependence of the alpha relaxation in ortho-terphenyl.

B. Savoie, J. Caruthers, G. Medvedev, 2020, The Journal of chemical physics.

Globally Suppressed Dynamics in Ion-Doped Polymers.

Thomas F. Miller, Zhen‐Gang Wang, Michael A. Webb, 2018, ACS macro letters.

Systematic computational and experimental investigation of lithium-ion transport mechanisms in polymer electrolytes

Thomas F. Miller, Zhen‐Gang Wang, G. Coates, 2016 .

Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force Fields

Michael A. Webb, B. Savoie, Bumjoon Seo, 2021, J. Chem. Inf. Model..

Mitigating Polysulfide Shuttles with Upcycled Alkali Metal Terephthalate Decorated Separators

Sourav Ghosh, V. Pol, Daniel A. Gribble, 2022, Batteries.

Algorithmic Explorations of Unimolecular and Bimolecular Reaction Spaces

B. Savoie, Qiyuan Zhao, 2022, Angewandte Chemie.

A nonconjugated radical polymer glass with high electrical conductivity

B. Savoie, Yongho Joo, B. Boudouris, 2018, Science.

Mechanical bond-induced radical stabilization.

J. F. Stoddart, M. Ratner, T. Marks, 2013, Journal of the American Chemical Society.

Optimizing Ion Transport in Polyether-Based Electrolytes for Lithium Batteries

Brett M. Savoie, Thomas F. Miller, Geoffrey W. Coates, 2018 .

Stokes shift/emission efficiency trade-off in donor–acceptor perylenemonoimides for luminescent solar concentrators

M. Ratner, A. Facchetti, T. Marks, 2015 .

Electronic and Spintronic Open-Shell Macromolecules, Quo Vadis?

B. Savoie, L. Dou, B. Boudouris, 2022, Journal of the American Chemical Society.

Semiconducting polymer blends that exhibit stable charge transport at high temperatures

Alexander L. Ayzner, Jianguo Mei, Aristide Gumyusenge, 2018, Science.

Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics.

Mark A Ratner, Nicholas E Jackson, Brett M Savoie, 2013, Physical chemistry chemical physics : PCCP.

Enhancing Cation Diffusion and Suppressing Anion Diffusion via Lewis-Acidic Polymer Electrolytes.

Michael A Webb, Brett M Savoie, Thomas F. Miller, 2016, The journal of physical chemistry letters.

Improved Chemical Prediction from Scarce Data Sets via Latent Space Enrichment.

Nicolae C. Iovanac, B. Savoie, 2019, The journal of physical chemistry. A.

Chemically Specific Dynamic Bond Percolation Model for Ion Transport in Polymer Electrolytes

Thomas F. Miller, Zhen‐Gang Wang, Michael A. Webb, 2015 .

A Simple Index for Characterizing Charge Transport in Molecular Materials.

Mark A Ratner, Nicholas E Jackson, Brett M Savoie, 2015, The journal of physical chemistry letters.

Mesoscopic features of charge generation in organic semiconductors.

M. Ratner, T. Marks, B. Savoie, 2014, Accounts of chemical research.

Top–Down Coarse-Grained Framework for Characterizing Mixed Conducting Polymers

B. Savoie, Aditi Khot, 2021, Macromolecules.

Molecular Design Features for Charge Transport in Nonconjugated Radical Polymers.

B. Savoie, B. Boudouris, Ying Tan, 2021, Journal of the American Chemical Society.

Electronic and Magnetic Properties of a Three-Arm Nonconjugated Open-Shell Macromolecule

N. Dilley, B. Savoie, B. Boudouris, 2021, ACS polymers Au.

Two-dimensional halide perovskite lateral epitaxial heterostructures

Akriti, J. Kong, P. Yang, 2020, Nature.

Layer-by-layer anionic diffusion in two-dimensional halide perovskite vertical heterostructures

Akriti, Peilin Liao, B. Savoie, 2021, Nature Nanotechnology.

Molecular engineering of organic–inorganic hybrid perovskites quantum wells

M. Zeller, Libai Huang, V. Blum, 2019, Nature Chemistry.

Comprehensive exploration of graphically defined reaction spaces

O. Isayev, M. Woulfe, B. Savoie, 2023, Scientific Data.

How side‐chain hydrophilicity modulates morphology and charge transport in mixed conducting polymers

B. Savoie, Aditi Khot, 2021, Journal of Polymer Science.

Conformational Sampling for Transition State Searches on a Computational Budget.

B. Savoie, Hsuan-Hao Hsu, Qiyuan Zhao, 2022, Journal of chemical theory and computation.

A Self-Consistent Component Increment Theory for Predicting Enthalpy of Formation.

Qiyuan Zhao, Brett Matthew Savoie, B. Savoie, 2020, Journal of chemical information and modeling.

Evidence of information limitations in coarse-grained models.

Brett M Savoie, Aditi Khot, Stephen B Shiring, 2019, The Journal of chemical physics.

Design of an n-type low glass transition temperature radical polymer

B. Savoie, Zihao Liang, Ying Tan, 2021, Polymer Chemistry.

Unequal partnership: asymmetric roles of polymeric donor and fullerene acceptor in generating free charge.

R. Friend, B. Movaghar, M. Ratner, 2014, Journal of the American Chemical Society.

Modeling geminate pair dissociation in organic solar cells: high power conversion efficiencies achieved with moderate optical bandgaps

Mark A. Ratner, Tobin J. Marks, Brett M. Savoie, 2012 .

Emergent Properties in Locally Ordered Molecular Materials

M. Ratner, T. Marks, B. Savoie, 2014 .

Organic photovoltaics: elucidating the ultra-fast exciton dissociation mechanism in disordered materials.

M. Ratner, T. Marks, B. Savoie, 2014, Angewandte Chemie.

The Next Breakthrough for Organic Photovoltaics?

Mark A Ratner, Nicholas E Jackson, Brett M Savoie, 2015, The journal of physical chemistry letters.

Structural and conformational dispersion in the rational design of conjugated polymers

M. Ratner, T. Marks, B. Savoie, 2014 .

Suppressing phase disproportionation in quasi-2D perovskite light-emitting diodes

Libai Huang, Yan Yao, A. Boltasseva, 2023, Nature Communications.

Diffusion of Volatile Organics and Water in the Epicuticular Waxes of Petunia Petal Epidermal Cells.

B. Savoie, N. Dudareva, J. Morgan, 2022, The Plant journal : for cell and molecular biology.

Actively Searching: Inverse Design of Novel Molecules with Simultaneously Optimized Properties.

Brett M. Savoie, Nicolae C. Iovanac, R MacKnight, 2021, The journal of physical chemistry. A.

Erratum: Improving the generative performance of chemical autoencoders through transfer learning (2020 Mach. Learn.: Sci. Technol. 1 045010)

Nicolae C Iovanac, Brett M Savoie, Nicolae C. Iovanac, 2021, Mach. Learn. Sci. Technol..

Improving the generative performance of chemical autoencoders through transfer learning

Brett M. Savoie, Nicolae C. Iovanac, B. Savoie, 2020, Mach. Learn. Sci. Technol..

Evidence That Less Can Be More for Transferable Force Fields

B. Savoie, Bumjoon Seo, 2023, J. Chem. Inf. Model..

Enhanced Electron Transport in Nonconjugated Radical Oligomers Occurs by Tunneling.

Songsong Li, B. Savoie, Kangying Liu, 2023, Nano letters.

Significant charge transport effects due to subtle molecular changes in nitroxide radical single crystals

M. Zeller, B. Savoie, Zihao Liang, 2023, Cell Reports Physical Science.

Charge Transport and Antiferromagnetic Ordering in Nitroxide Radical Crystals

M. Zeller, B. Savoie, Zihao Liang, 2022, Molecular Systems Design & Engineering.

Design Rules for Two-Dimensional Organic Semiconductor-Incorporated Perovskites (OSiP) Gleaned from Thousands of Simulated Structures.

B. Savoie, L. Dou, Stephen B. Shiring, 2023, Angewandte Chemie.

Role of the Solvation Shell Structure and Dynamics on K-Ion and Li-Ion Transport in Mixed Carbonate Electrolytes

V. Pol, B. Savoie, Bumjoon Seo, 2021 .

Quantifying Anionic Diffusion in 2D Halide Perovskite Lateral Heterostructures

Akriti, B. Savoie, Enzheng Shi, 2021, Advanced Materials.

Simpler is Better: How Linear Prediction Tasks Improve Transfer Learning in Chemical Autoencoders.

Nicolae C. Iovanac, B. Savoie, 2020, The journal of physical chemistry. A.

Thermally Accessible Prebiotic Pathways for Forming Ribonucleic Acid and Protein Precursors from Aqueous Hydrogen Cyanide.

B. Savoie, Qiyuan Zhao, Sanjay S. Garimella, 2023, Journal of the American Chemical Society.

Emerging Two-Dimensional Organic Semiconductor-Incorporated Perovskites─A Fascinating Family of Hybrid Electronic Materials.

B. Savoie, L. Dou, Jiaonan Sun, 2023, Journal of the American Chemical Society.

Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions.

M. Ratner, G. Schatz, M. Olvera de la Cruz, 2013, Journal of the American Chemical Society.

Anomalous magnetoresistance in a nonconjugated radical polymer glass.

B. Savoie, B. Boudouris, Siddhartha Akkiraju, 2023, Proceedings of the National Academy of Sciences of the United States of America.

Δ-Learning applied to coarse-grained homogeneous liquids.

B. Savoie, Aditi Khot, 2023, The Journal of chemical physics.

∆ -Learning for Coarse-Grained Potentials

B. Savoie, Aditi Khot, 2023 .

Unraveling two distinct polymorph transition mechanisms in one n-type single crystal for dynamic electronics

Ying Diao, B. Savoie, J. Strzalka, 2023, Nature Communications.

Mesoscopic features of charge generation in organic semiconductors.

M. Ratner, T. Marks, B. Savoie, 2014, Accounts of chemical research.

Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics.

M. Ratner, T. Marks, B. Savoie, 2013, Physical chemistry chemical physics : PCCP.

Transferable Ring Corrections for Predicting Enthalpy of Formation of Cyclic Compounds

Brett M. Savoie, Qiyuan Zhao, Nicolae C. Iovanac, 2021, J. Chem. Inf. Model..

Conformational Sampling for Transition State Searches on a Computational Budget.

B. Savoie, Hsuan-Hao Hsu, Qiyuan Zhao, 2021, Journal of chemical theory and computation.

Simultaneously improving reaction coverage and computational cost in automated reaction prediction tasks

Brett M. Savoie, Qiyuan Zhao, B. Savoie, 2021, Nature Computational Science.

Deep reaction network exploration of glucose pyrolysis

B. Savoie, Qiyuan Zhao, 2023, Proceedings of the National Academy of Sciences of the United States of America.

Bridging the Monomer to Polymer Gap in Radical Polymer Design.

B. Savoie, B. Boudouris, Ying Tan, 2023, ACS macro letters.

Unified description for the temperature dependence of mobility in liquids.

B. Savoie, J. Caruthers, G. Medvedev, 2023, The Journal of chemical physics.

Mechanical bond-induced radical stabilization.

M. Ratner, T. Marks, Yan-Li Zhao, 2013, Journal of the American Chemical Society.

Molecular templating of layered halide perovskite nanowires

Libai Huang, V. Shalaev, A. Boltasseva, 2024, Science.

Inside Cover: Organic Photovoltaics: Elucidating the Ultra‐Fast Exciton Dissociation Mechanism in Disordered Materials (Angew. Chem. Int. Ed. 29/2014)

M. Ratner, T. Marks, B. Savoie, 2014 .

Two-dimensional-lattice-confined single-molecule-like aggregates.

A. Boltasseva, Y. Zhao, B. Savoie, 2024, Nature.