Showing 1–11 of 11 results for author: Patel, H

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Authors: Aritra Roy, Kevin Shen, Andrew MacBride, Awwal Oladipupo, Mudassra Taskeen, Wojtek Treyde, Ruaa A. E. A. Abakar, Ahmad D. Abbas, Elsayed Abdelfatah, Abbas A. Abdullahi, Seham S. Abyah, Chahd Rahyl Adjmi, Fariha Agbere, Savyasanchi Aggarwal, Muhammad Ahmed, Tasnim Ahmed, Motasem Ajlouni, Mattias Akke, Hussein AlAdwan, Anwaar S. Alazani, Zahra A. Alharbi, Wajd A. Aljulyhi, Mohammed A. AlKubaish, Fatima A. Almahri, Sayed A. Almohri , et al. (328 additional authors not shown)

Abstract: Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categori… ▽ More Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry. △ Less

Submitted 4 May, 2026; originally announced May 2026.

Comments: This paper reflects contributions from hundreds of researchers worldwide through an event, follow-on discussions, and project development exploring LLM applications in materials science and chemistry. While unconventional, it captures a timely, broad, and efficient community exploration of a rapidly evolving field and offers value to the arXiv community

Hierarchical woven fibrillar structures in developing single gyroids in butterflies

Authors: Anna-Lee Jessop, Peta L. Clode, Martin Saunders, Myfanwy E. Evans, Stephen T. Hyde, James N. McPherson, Kasper S. Pederson, Jacob J. K. Kirkensgaard, Nipam H. Patel, Kyle A. DeMarr, W. Owen McMillan, Bodo D. Wilts, Gerd E. Schroeder-Turk

Abstract: Nature offers a remarkable diversity of nanomaterials that have extraordinary functional and structural properties. Intrinsic to nature is the impressive ability to form complex ordered nanomaterials via self-organization. One particularly intriguing nanostructure is the Gyroid, a network-like structure exhibiting high symmetry and complex topology. Although its existence in cells and tissues acro… ▽ More Nature offers a remarkable diversity of nanomaterials that have extraordinary functional and structural properties. Intrinsic to nature is the impressive ability to form complex ordered nanomaterials via self-organization. One particularly intriguing nanostructure is the Gyroid, a network-like structure exhibiting high symmetry and complex topology. Although its existence in cells and tissues across many biological kingdoms is well documented, how and why it forms remains elusive and uncovering these formation mechanisms will undoubtedly inform bioinspired designs. A beautiful example is the smooth single gyroid that is found in the wing scales of several butterflies, where it behaves as a photonic crystal generating a vibrant green colour. Here, we report that the gyroid structures of the Emerald-patched Cattleheart, Parides sesostris, develop as woven fibrillar structures, disputing the commonly held assumption that they form as smooth constructs. Ultramicroscopy of pupal tissue reveals that the gyroid geometry consists of helical weavings of fibres, akin to hyperbolic line patterns decorating the gyroid. Interestingly, despite their fibrillar nature, electron diffraction reveals the absence of crystalline order within this material. Similar fibrillar structures are also observed in the mature wing scales of P. sesostris specimens with surgically altered pupal development, leading to a blue colouration. Our findings not only introduce a fundamentally new variation of the gyroid in biology but also have significant implications for our understanding of its formation in nature. △ Less

Submitted 7 April, 2025; v1 submitted 4 April, 2025; originally announced April 2025.

Applications of Enhanced Sampling Methods to Biomolecular Self-Assembly: A Review

Authors: Mason Hooten, Het Patel, Yiwei Shao, Rishabh Kumar Singh, Meenakshi Dutt

Abstract: This review article discusses some common enhanced sampling methods in relation to the process of self-assembly of biomolecules. An introduction to self-assembly and its challenges is covered followed by a brief overview of the methods and analysis for replica-exchange molecular dynamics, umbrella sampling, metadynamics, and machine learning based techniques. Applications of select methods towards… ▽ More This review article discusses some common enhanced sampling methods in relation to the process of self-assembly of biomolecules. An introduction to self-assembly and its challenges is covered followed by a brief overview of the methods and analysis for replica-exchange molecular dynamics, umbrella sampling, metadynamics, and machine learning based techniques. Applications of select methods towards peptides, proteins, polymers, nucleic acids, and supramolecules are discussed. Finally, a short discussion of the future directions of some of these methods is provided. △ Less

Submitted 28 February, 2025; originally announced February 2025.

Thermodynamic Evidence for Density Wave Order in Two Dimensional 4He Supersolid

Authors: J. Knapp, J. Nyeki, H. Patel, F Ziouzia, B. P. Cowan, J. Saunders

Abstract: We previously reported the discovery of a two dimensional $^{4}$He supersolid; a state with intertwined density wave and superfluid order, observed in the second layer of $^{4}$He adsorbed on graphite. In this Letter we provide direct evidence for the density wave order, obtained by doping the layer with a small concentration of $^{3}$He atoms (impuritons). The heat capacity, magnetization and NMR… ▽ More We previously reported the discovery of a two dimensional $^{4}$He supersolid; a state with intertwined density wave and superfluid order, observed in the second layer of $^{4}$He adsorbed on graphite. In this Letter we provide direct evidence for the density wave order, obtained by doping the layer with a small concentration of $^{3}$He atoms (impuritons). The heat capacity, magnetization and NMR relaxation times of the $^{3}$He were measured over a wide temperature range from 200 $μ$K to 500 mK. They provide evidence for changes in the ground state in the second layer film as the amount of $^{4}$He is increased at various fixed $^{3}$He doses. Clear evidence is obtained for a solid second layer film, matching the r\a'egime of superfluid response previously observed in pure $^{4}$He films. △ Less

Submitted 10 February, 2025; v1 submitted 14 October, 2024; originally announced October 2024.

Comments: Main body of the paper plus supplementary material

Spreading of a viscoelastic drop on a solid substrate

Authors: Peyman Rostami, Mathis Fricke, Simon Schubotz, Himanshu Patel, Reza Azizmalayeri, Güunter K. Auernhammer

Abstract: We study the spreading of viscous and viscoelastic drops on solid substrates with different wettability. In the early stages of spreading, we find that the viscoelastic drop spreads with faster and a different power law than the Newtonian drop (i.e. aqueous glycerine solution) for the same zero shear rate viscosity. We argue that the effect of viscoelasticity is only observable for experimental ti… ▽ More We study the spreading of viscous and viscoelastic drops on solid substrates with different wettability. In the early stages of spreading, we find that the viscoelastic drop spreads with faster and a different power law than the Newtonian drop (i.e. aqueous glycerine solution) for the same zero shear rate viscosity. We argue that the effect of viscoelasticity is only observable for experimental time scales in the order of the internal relaxation time of the polymer solution or longer times. Near the contact line, the effective viscosity is lower for the viscoelastic drop than for the Newtonian drop. Together with its shear rate dependency, this difference in effective viscosity can explain the different spreading dynamics. We support our experimental findings with a simple perturbation model that qualitatively agrees with our findings. △ Less

Submitted 29 August, 2023; v1 submitted 28 August, 2023; originally announced August 2023.

Journal ref: J. Fluid Mech. 988 (2024) A51

$d$-mon: transmon with strong anharmonicity

Authors: Hrishikesh Patel, Vedangi Pathak, Oguzhan Can, Andrew C. Potter, Marcel Franz

Abstract: We propose a novel qubit architecture based on a planar $c$-axis Josephson junction between a thin flake $d$-wave superconductor ($d$SC), such as a high-$T_c$ cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$, and a conventional $s$-wave superconductor. When operated in the transmon regime the device -- that we call "$d$-mon" -- becomes insensitive to offset charge fluctuations and, importantly, exhibits at t… ▽ More We propose a novel qubit architecture based on a planar $c$-axis Josephson junction between a thin flake $d$-wave superconductor ($d$SC), such as a high-$T_c$ cuprate Bi$_2$Sr$_2$CaCu$_2$O$_{8+x}$, and a conventional $s$-wave superconductor. When operated in the transmon regime the device -- that we call "$d$-mon" -- becomes insensitive to offset charge fluctuations and, importantly, exhibits at the same time energy level spectrum with strong anharmonicity that is widely tunable through the device geometry and applied magnetic flux. Crucially, unlike previous qubit designs based on $d$-wave superconductors the proposed device operates in a regime where quasiparticles are fully gapped and can be therefore expected to achieve long coherence times. △ Less

Submitted 9 August, 2023; v1 submitted 1 August, 2023; originally announced August 2023.

Comments: 4 pages main text + 6 pages SM; V2: corrected typos and updated references

θ-Tunable Photoluminescence from Interlayer Excitons in Twisted Bilayer Graphene

Authors: Hiral Patel, Lujie Huang, Cheol-Joo Kim, Jiwoong Park, Matt W. Graham

Abstract: Using resonant 2-photon excitation of interlayer electrons in twisted bilayer graphene (tBLG), we resolve photoluminescence (PL) that tunes spectrally with stacking angle, θ. This weak signal is 4- 5$\times$ larger than the non-resonant background and is emitted from the interlayer band anti-crossing regions traditionally associated with van Hove singularity resonances. However, our observation of… ▽ More Using resonant 2-photon excitation of interlayer electrons in twisted bilayer graphene (tBLG), we resolve photoluminescence (PL) that tunes spectrally with stacking angle, θ. This weak signal is 4- 5$\times$ larger than the non-resonant background and is emitted from the interlayer band anti-crossing regions traditionally associated with van Hove singularity resonances. However, our observation of resonant PL emission with delayed ~1 ps electronic thermalization suggests interlayer carriers may instead form bound-excitons. Using both the 2-photon PL and intraband transient absorption spectra, we observe bright and dark state peak-splitting associated with an interlayer exciton binding energy ranging from 0.5 to 0.7 eV for θ = 8$^o$ to 17$^o$. These results support theoretical models showing interlayer excitons in tBLG are stabilized by a vanishing exciton-coupling strength to the metallic continuum states. This unexpected dual metal-exciton optical property of tBLG suggests possible θ-tuneable control over carrier thermalization, extraction and emission in optical graphene-based devices. △ Less

Submitted 16 June, 2018; originally announced June 2018.

Journal ref: Stacking Angle-Tunable Photoluminescence from Interlayer Exciton States in Twisted Bilayer Graphene, Nature Communications, 10, 1445, 2019, https://www.nature.com/articles/s41467-019-09097-x

DNA-Graphene Interactions During Translocation Through Nanogaps

Authors: Hiral N. Patel, Ian Carroll, Rodolfo Lopez, Jr., Sandeep Sankararaman, Charles Etienne, Subba Ramaiah Kodigala, Mark R. Paul, Henk W. Ch. Postma

Abstract: We study how double-stranded DNA translocates through graphene nanogaps. Nanogaps are fabricated with a novel capillary-force induced graphene nanogap formation technique. DNA translocation signatures for nanogaps are qualitatively different from those obtained with circular nanopores, owing to the distinct shape of the gaps discussed here. Translocation time and conductance values vary by… ▽ More We study how double-stranded DNA translocates through graphene nanogaps. Nanogaps are fabricated with a novel capillary-force induced graphene nanogap formation technique. DNA translocation signatures for nanogaps are qualitatively different from those obtained with circular nanopores, owing to the distinct shape of the gaps discussed here. Translocation time and conductance values vary by $\sim 100$%, which we suggest are caused by local gap width variations. We also observe exponentially relaxing current traces. We suggest that slow relaxation of the graphene membrane following DNA translocation may be responsible. We conclude that DNA-graphene interactions are important, and need to be considered for graphene-nanogap based devices. This work further opens up new avenues for direct read of single molecule activitities, and possibly sequencing. △ Less

Submitted 21 February, 2018; originally announced February 2018.

Comments: 13 pages, 6 figures

Journal ref: Patel HN, Carroll I, Lopez R Jr, Sankararaman S, Etienne C, Kodigala SR, et al. (2017) DNA-graphene interactions during translocation through nanogaps. PLoS ONE 12(2): e0171505

Superelasticity and Cryogenic Linear Shape Memory Effects of CaFe2As2

Authors: John T. Sypek, Hang Yu, Keith J. Dusoe, Gil Drachuk Hetal Patel, Amanda M. Giroux, Alan I. Goldman, Andreas Kreyssig, Paul C. Canfield, Sergey L. Bud'ko, Christopher R. Weinberger, Seok-Woo Lee

Abstract: Shape memory materials have the ability to recover their original shape after a significant amount of deformation when they are subjected to certain stimuli, for instance, heat or magnetic fields. However, their performance is often limited by the energetics and geometry of the martensitic-austenitic phase transformation. Here, we report a unique shape memory behavior in CaFe2As2, which exhibits s… ▽ More Shape memory materials have the ability to recover their original shape after a significant amount of deformation when they are subjected to certain stimuli, for instance, heat or magnetic fields. However, their performance is often limited by the energetics and geometry of the martensitic-austenitic phase transformation. Here, we report a unique shape memory behavior in CaFe2As2, which exhibits superelasticity with over 13% recoverable strain, over 3 GPa yield strength, repeatable stress-strain response even at the micrometer scale, and cryogenic linear shape memory effects near 50 K. These properties are acheived through a reversible uni-axial phase transformation mechanism, the tetragonal/orthorhombic-to-collapsed-tetragonal phase transformation. Our results offer the possibility of developing cryogenic linear technologies with a high precision and high actuation power per-unit-volume for deep space exploration, and more broadly, suggest a mechanistic path to a class of shape memory materials, ThCr2Si2-structured intermetallic compounds. △ Less

Submitted 3 April, 2019; v1 submitted 14 August, 2017; originally announced August 2017.

Strongly bound excitons dominate electronic relaxation in resonantly excited twisted bilayer graphene

Authors: Hiral Patel, Lola Brown, Yufeng Liang, Li Yang, Jiwoong Park, Matt W. Graham

Abstract: When two sheets of graphene stack in a twisted bilayer graphene (tBLG) configuration, the resulting constrained overlap between interplanar 2p orbitals produce angle-tunable electronic absorption resonances. Using a novel combination of multiphoton transient absorption (TA) microscopy and TEM, we resolve the resonant electronic structure, and ensuing electronic relaxation inside single tBLG domain… ▽ More When two sheets of graphene stack in a twisted bilayer graphene (tBLG) configuration, the resulting constrained overlap between interplanar 2p orbitals produce angle-tunable electronic absorption resonances. Using a novel combination of multiphoton transient absorption (TA) microscopy and TEM, we resolve the resonant electronic structure, and ensuing electronic relaxation inside single tBLG domains. Strikingly, we find that the transient electronic population in resonantly excited tBLG domains is enhanced many fold, forming a major electronic relaxation bottleneck. 2-photon TA microscopy shows this bottleneck effect originates from a strongly bound, dark exciton state lying 0.37 eV below the 1-photon absorption resonance. This stable coexistence of strongly bound excitons alongside free-electron continuum states has not been previously observed in a metallic, 2D material. △ Less

Submitted 29 May, 2015; originally announced June 2015.

Comments: 6 pages, 4 figures

Colloidal glass transition observed in confinement

Authors: Carolyn R. Nugent, Kazem V. Edmond, Hetal N. Patel, Eric R. Weeks

Abstract: We study a colloidal suspension confined between two quasi-parallel walls as a model system for glass transitions in confined geometries. The suspension is a mixture of two particle sizes to prevent wall-induced crystallization. We use confocal microscopy to directly observe the motion of colloidal particles. This motion is slower in confinement, thus producing glassy behavior in a sample which… ▽ More We study a colloidal suspension confined between two quasi-parallel walls as a model system for glass transitions in confined geometries. The suspension is a mixture of two particle sizes to prevent wall-induced crystallization. We use confocal microscopy to directly observe the motion of colloidal particles. This motion is slower in confinement, thus producing glassy behavior in a sample which is a liquid in an unconfined geometry. For higher volume fraction samples (closer to the glass transition), the onset of confinement effects occurs at larger length scales. △ Less

Submitted 15 May, 2007; v1 submitted 28 January, 2006; originally announced January 2006.

Comments: 4 pages, 3 figures

Journal ref: Phys. Rev. Lett. 99, 025702 (2007)