Publications by authors named "Daniel Packwood"

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Cross-correlation for detecting and understanding patterns inmolecular dynamics simulations of liquid metals.
Charlie Ruffman, Daniel Packwood

J Phys Condens Matter· August 2025

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Graph neural networks to predict atomic transition charges and exciton couplings in organic semiconductors.
Geoffrey R Weal, Maryam Nurhuda, Justin M Hodgkiss, Paul A Hume, Daniel M Packwood

J Chem Phys· July 2025

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Interconnected Lamellar 3D Semiconductive PCP for Rechargeable Aqueous Zinc Battery Cathodes.
Zirui Lin, Ken-Ichi Otake, Takashi Kajiwara, Shotaro Hiraide, Maryam Nurhuda, Daniel Packwood

Small· March 2025

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Microstructural Analysis of Crystal Melting of a Cu-Based 1D Coordination Polymer by Molecular Dynamics.
Yuki Ohara, Taichi Nishiguchi, Satoshi Horike, Daniel M Packwood

Inorg Chem· March 2025

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Molecular Design for Cardiac Cell Differentiation Using a Small Data Set and Decorated Shape Features.
Fatemeh Etezadi, Shunichi Ito, Kosuke Yasui, Rodi Kado Abdalkader, Itsunari Minami, Daniel M Packwood

J Chem Inf Model· December 2024

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Entropically driven melting of Cu-based 1D coordination polymers.
Yuki Ohara, Taichi Nishiguchi, Xin Zheng, Shin-Ichiro Noro, Daniel M Packwood

Chem Commun (Camb)· September 2024

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Desensitization to commodity price fluctuations by product characteristics.
Keiji Sakakibara, Daniel M Packwood

Phys Rev E· September 2024

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Biomass-derived carbon dots as fluorescent quantum probes to visualize and modulate inflammation.
Mahima Kumar, Shanmugavel Chinnathambi, Noremylia Bakhori, Norhidayah Abu, Fatemeh Etezadi, Daniel Packwood

Sci Rep· June 2024

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Suppression of Charge Recombination by Vertical Arrangement of A Donor Moiety on Flat Planar Dyes for Efficient Dye-Sensitized Solar Cells.
Qi Guo, Tomohiro Higashino, Rintaro Adachi, Chayanit Wechwithayakhlung, Daniel Packwood

ChemSusChem· May 2024

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Extracellular calcium functions as a molecular glue for transmembrane helices to activate the scramblase Xkr4.
Panpan Zhang, Masahiro Maruoka, Ryo Suzuki, Hikaru Katani, Yu Dou, Daniel M Packwood

Nat Commun· September 2023

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Exciton diffusion in amorphous organic semiconductors: Reducing simulation overheads with machine learning.
Chayanit Wechwithayakhlung, Geoffrey R Weal, Yu Kaneko, Paul A Hume, Justin M Hodgkiss, Daniel M Packwood

J Chem Phys· May 2023

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Discovery of a phase-separating small molecule that selectively sequesters tubulin in cells.
Genyir Ado, Naotaka Noda, Hue T Vu, Amelie Perron, Amarjyoti D Mahapatra, Daniel M Packwood

Chem Sci· May 2022

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Intrinsic Hole Mobility in Luminescent Metal-Organic Frameworks and Its Application in Organic Light-Emitting Diodes.
Chokchai Kaiyasuan, Vetiga Somjit, Bundet Boekfa, Daniel Packwood, Pongsakorn Chasing

Angew Chem Int Ed Engl· April 2022

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One-Pot, Room-Temperature Conversion of CO into Porous Metal-Organic Frameworks.
Kentaro Kadota, You-Lee Hong, Yusuke Nishiyama, Easan Sivaniah, Daniel Packwood

J Am Chem Soc· October 2021

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Caspase cleavage releases a nuclear protein fragment that stimulates phospholipid scrambling at the plasma membrane.
Masahiro Maruoka, Panpan Zhang, Hiromi Mori, Eiichi Imanishi, Daniel M Packwood

Mol Cell· April 2021

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Discovery of Self-Assembling Small Molecules as Vaccine Adjuvants.
Shuyu Jin, Hue Thi Vu, Kou Hioki, Naotaka Noda, Hiroki Yoshida, Daniel Packwood

Angew Chem Int Ed Engl· January 2021

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Disorder-robust bands from anisotropic orbitals in a coordination polymer semiconductor.
Daniel M Packwood, Pichaya Pattanasattayavong

J Phys Condens Matter· June 2020

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Exploring the configuration spaces of surface materials using time-dependent diffraction patterns and unsupervised learning.
Daniel M Packwood

Sci Rep· April 2020

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Materials informatics for self-assembly of functionalized organic precursors on metal surfaces.
Daniel M Packwood, Taro Hitosugi

Nat Commun· June 2018

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Construction of a Hierarchical Architecture of Covalent Organic Frameworks via a Postsynthetic Approach.
Gen Zhang, Masahiko Tsujimoto, Daniel Packwood, Nghia Tuan Duong, Yusuke Nishiyama

J Am Chem Soc· February 2018

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A Hydroxamic Acid Anchoring Group for Durable Dye-Sensitized Solar Cells Incorporating a Cobalt Redox Shuttle.
Tomohiro Higashino, Yuma Kurumisawa, Ning Cai, Yamato Fujimori, Yukihiro Tsuji, Daniel M Packwood

ChemSusChem· September 2017

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Chemical and entropic control on the molecular self-assembly process.
Daniel M Packwood, Patrick Han, Taro Hitosugi

Nat Commun· February 2017

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State-space reduction and equivalence class sampling for a molecular self-assembly model.
Daniel M Packwood, Patrick Han, Taro Hitosugi

R Soc Open Sci· July 2016

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Charge transport in organic crystals: critical role of correlated fluctuations unveiled by analysis of Feynman diagrams.
Daniel M Packwood, Kazuaki Oniwa, Tienan Jin, Naoki Asao

J Chem Phys· April 2015

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Effects of atomic collisions on the stoichiometry of thin films prepared by pulsed laser deposition.
Daniel M Packwood, Susumu Shiraki, Taro Hitosugi

Phys Rev Lett· July 2013

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