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D. Chakraborty

Publications and source records attributed to D. Chakraborty.

At least 19 recordsLinked to original sources
arXiv2026

AIMBio-Mat: An AI-Native FAIR Platform for Closed-Loop Materials Discovery and Biomedical Translation

Materials discovery and biomedical translation increasingly require models that can reason across composition, processing, structure, biological response, manufacturability, safety, and governance constraints. Existing materials and biomedical data ecosystems are powerful but remain poorly coupled for AI-guided discovery. Here we present AIMBio, a conceptual framework for an AI-native, FAIR, and governance-aware decision layer that links materials provenance, biomedical context, knowledge graphs, uncertainty-aware machine learning, and human-in-the-loop active learning. The framework formulates biomedical-materials discovery as constrained multi-objective optimization under uncertainty and introduces practical requirements for metadata, model documentation, risk-tiered governance, evaluation metrics, and phased implementation. To make the roadmap testable, we add a minimum viable prototype specification and a worked pilot for AI-guided nanomaterials for drug delivery. AIMBio is positioned as exploratory and preclinical discovery infrastructure, not as clinical decision-support software; any clinical or regulated-device use would require separate validation, change control, and regulatory review. The central contribution is a publishable platform blueprint for converting fragmented materials and biomedical records into auditable, experimentally actionable, and translationally responsible discovery workflows.

physics.app-ph↗
arXiv2026

Building a Regional Data-Centric Materials Science Ecosystem for Processing-Rich Materials Innovation in the Great Plains

Data-centric materials science is changing how materials are discovered, optimized, manufactured, and qualified, yet many deployment-limiting materials problems still depend on experimental, processing-rich, device-level, and field-relevant data that are difficult to capture in conventional materials databases. This perspective argues that the Great Plains and adjacent interior research corridor can make a distinctive national contribution by organizing distributed experimental assets into a trusted regional materials-data ecosystem. The proposed model emphasizes FAIR metadata, provenance, persistent sample identifiers, uncertainty-aware modeling, semi-closed-loop workflows, stackable workforce training, and tiered governance for academic, public, controlled-access, and industry-protected data. We identify five coupled barriers -- fragmented data, weak algorithm--laboratory translation, uneven access to cyberinfrastructure and technical staff, workforce gaps at the materials--data interface, and insufficient incentives for sharing and reuse -- and propose a staged roadmap for addressing them. A high-purity germanium pilot illustrates how regional strengths can be converted into reusable datasets, benchmark models, trained personnel, and decision-improving workflows. The broader message is that regional leadership in data-centric materials science will depend less on geographic concentration than on trustworthy data practices, interoperable infrastructure, cross-trained people, and application-driven materials challenges.

cond-mat.mtrl-sci↗
arXiv2025

Entropy mode driven gas optics

We propose a novel class of gaseous diffractive optical elements created by imprinting an entropy mode in a gas. Previous approaches to gaseous diffractive optics relied on the simultaneous excitation of a standing acoustic wave and an entropy mode to produce one-dimensional periodic structures. However, the presence of acoustic oscillations in the gas imposes stringent constraints on some operational parameters of these optical elements, such as their lifetime and diffraction angle. In this work, we introduce a new approach that eliminates the acoustic mode, relying solely on the entropy mode. This enables control of the lifetime and temporal profile of gaseous optical elements, and also allows the creation of arbitrary structures with greater contrast, including non-periodic patterns such as chirped gratings or lenses. This approach should allow operation over a wider parameter space, including larger diffraction angles and compatibility with laser pulse durations ranging from femtoseconds to microseconds.

physics.optics↗
arXiv2022

Computing Anti-Derivatives using Deep Neural Networks

This paper presents a novel algorithm to obtain the closed-form anti-derivative of a function using Deep Neural Network architecture. In the past, mathematicians have developed several numerical techniques to approximate the values of definite integrals, but primitives or indefinite integrals are often non-elementary. Anti-derivatives are necessarily required when there are several parameters in an integrand and the integral obtained is a function of those parameters. There is no theoretical method that can do this for any given function. Some existing ways to get around this are primarily based on either curve fitting or infinite series approximation of the integrand, which is then integrated theoretically. Curve fitting approximations are inaccurate for highly non-linear functions and require a different approach for every problem. On the other hand, the infinite series approach does not give a closed-form solution, and their truncated forms are often inaccurate. We claim that using a single method for all integrals, our algorithm can approximate anti-derivatives to any required accuracy. We have used this algorithm to obtain the anti-derivatives of several functions, including non-elementary and oscillatory integrals. This paper also shows the applications of our method to get the closed-form expressions of elliptic integrals, Fermi-Dirac integrals, and cumulative distribution functions and decrease the computation time of the Galerkin method for differential equations.

math.NA↗
arXiv2019

Fractionalized pair density wave in the pseudo-gap phase of cuprate superconductors

The mysterious pseudo-gap (PG) phase of cuprate superconductors has been the subject of intense investigation over the last thirty years, but without a clear agreement about its origin. Owing to a recent observation in Raman spectroscopy, of a precursor in the charge channel, on top of the well known fact of a precursor in the superconducting channel, we present here a novel idea: the PG is formed through a Higgs mechanism, where two kinds of preformed pairs, in the particle-particle and particle-hole channels, become entangled through a freezing of their global phase. Remarkably, this entanglement is equivalent to fractionalizing a Cooper pair density wave (PDW) into its elementary parts; the particle-hole pair, giving rise to both density modulations and current modulations, and the particle-particle counterpart, leading to the formation of Cooper pairs. From this perspective, the "fractionalized PDW" becomes the central object around the formation of the pseudo-gap. The "locking" of phases between the charge and superconducting modes gives a unique explanation for the unusual global phase coherence of short-range charge modulations, observed below $T_{c}$ on phase sensitive scanning tunneling microscopy (STM). A simple microscopic model enables us to estimate the mean-field values of the precursor gaps in each channel and the PG energy scale, and to compare them to the values observed in Raman scattering spectroscopy. We also discuss the possibility of a multiplicity of orders in the PG phase and give an overview of the phase diagram.

cond-mat.supr-con↗
arXiv2019

Fluctuations and Higgs mechanism in Under-Doped Cuprates: a Review

The physics of the pseudo-gap phase of high temperature cuprate superconductors has been an enduring mystery in the past thirty years. The ubiquitous presence of the pseudo-gap phase in under-doped cuprates suggests that its understanding holds a key in unraveling the origin of high temperature superconductivity. In this paper, we review various theoretical approaches to this problem, with a special emphasis on the concept of emergent symmetries in the under-doped region of those compounds. We differentiate the theories by considering a few fundamental questions related to the rich phenomenology of these materials. Lastly we discuss a recent idea of two kinds of entangled preformed pairs which open a gap at the pseudo-gap onset temperature $T^{*}$ through a specific Higgs mechanism. We give a review of the experimental consequences of this line of thoughts.

cond-mat.supr-con↗
arXiv2019

van der Waals density functional with corrected $C_6$ coefficients

The non-local van der Waals density functional (vdW-DF) has had tremendous success since its inception in 2004 due to its constraint-based formalism that is rigorously derived from a many-body starting point. However, while vdW-DF can describe binding energies and structures for van der Waals complexes and mixed systems with good accuracy, one long-standing criticism---also since its inception---has been that the $C_6$ coefficients that derive from the vdW-DF framework are largely inaccurate and can be wrong by more than a factor of two. It has long been thought that this failure to describe the $C_6$ coefficients is a conceptual flaw of the underlying plasmon framework used to derive vdW-DF. We prove here that this is not the case and that accurate $C_6$ coefficient can be obtained without sacrificing the accuracy at binding separations from a modified framework that is fully consistent with the constraints and design philosophy of the original vdW-DF formulation. Our design exploits a degree of freedom in the plasmon-dispersion model $ω_{\mathbf{q}}$, modifying the strength of the long-range van der Waals interaction and the cross-over from long to short separations, with additional parameters tuned_ to reference systems. Testing the new formulation for a range of different systems, we not only confirm the greatly improved description of $C_6$ coefficients, but we also find excellent performance for molecular dimers and other systems. The importance of this development is not necessarily that particular aspects such as $C_6$ coefficients or binding energies are improved, but rather that our finding opens the door for further conceptual developments of an entirely unexplored direction within the exact same constrained-based non-local framework that made vdW-DF so successful in the first place.

cond-mat.mtrl-sci↗
arXiv2013

Quantum Effects at Low Energy Atom-Molecule Interface

Quantum interference effects in inter-conversion between cold atoms and diatomic molecules are analysed. Within the framework of Fano's theory, continuum-bound anisotropic dressed state formalism of atom-molecule quantum dynamics is presented. This formalism is applicable in photo- and magneto-associative strong-coupling regimes. The significance of Fano effect in ultracold atom-molecule transitions is discussed. Quantum effects at low energy atom-molecule interface are important for exploring coherent phenomena in hither-to unexplored parameter regimes.

physics.atom-ph↗
arXiv2012

Measurement of the W boson helicity in top quark decays using 5.4 fb^-1 of ppbar collision data

We present a measurement of the helicity of the W boson produced in top quark decays using ttbar decays in the l+jets and dilepton final states selected from a sample of 5.4 fb^-1 of collisions recorded using the D0 detector at the Fermilab Tevatron ppbar collider. We measure the fractions of longitudinal and right-handed W bosons to be f_0 = 0.669 +- 0.102 [ +- 0.078 (stat.) +- 0.065 (syst.)] and f_+ = 0.023 +- 0.053 [+- 0.041 (stat.) +- 0.034 (syst.)], respectively. This result is consistent at the 98% level with the standard model. A measurement with f_0 fixed to the value from the standard model yields f_+ = 0.010 +- 0.037 [+- 0.022 (stat.) +- 0.030 (syst.) ].

hep-ex↗
arXiv2012

Time correlations and persistence probability of a Brownian particle in a shear flow

In this article, results have been presented for the two-time correlation functions for a free and a harmonically confined Brownian particle in a simple shear flow. For a free Brownian particle, the motion along the direction of shear exhibit two distinct dynamics, with the mean-square-displacement being diffusive at short times while at late times scales as $t^3$. In contrast the cross-correlation $\la x(t) y(t) \ra $ scales quadratically for all times. In the case of a harmonically trapped Brownian particle, the mean-square-displacement exhibits a plateau determined by the strength of the confinement and the shear. Further, the analysis is extended to a chain of Brownian particles interacting via a harmonic and a bending potential. Finally, the persistence probability is constructed from the two-time correlation functions.

cond-mat.soft↗
arXiv2012

Measurement of the differential cross section dσ/dt in elastic $p\bar{p}$ scattering at sqrt(s)=1.96 TeV

We present a measurement of the elastic differential cross section $dσ(p\bar{p}\rightarrow p\bar{p})/dt$ as a function of the four-momentum-transfer squared t. The data sample corresponds to an integrated luminosity of $\approx 31 nb^{-1}$ collected with the D0 detector using dedicated Tevatron $p\bar{p} $ Collider operating conditions at sqrt(s) = 1.96 TeV and covers the range $0.26 <|t|< 1.2 GeV^2$. For $|t|<0.6 GeV^2$, dσ/dt is described by an exponential function of the form $Ae^{-b|t|}$ with a slope parameter $ b = 16.86 \pm 0.10(stat) \pm 0.20(syst) GeV^{-2}$. A change in slope is observed at $|t| \approx 0.6 GeV^2$, followed by a more gradual |t| dependence with increasing values of |t|.

hep-ex↗
arXiv2012

Persistence of a Brownian particle in a Time Dependent Potential

We investigate the persistence probability of a Brownian particle in a harmonic potential, which decays to zero at long times -- leading to an unbounded motion of the Brownian particle. We consider two functional forms for the decay of the confinement, an exponential and an algebraic decay. Analytical calculations and numerical simulations show, that for the case of the exponential relaxation, the dynamics of Brownian particle at short and long times are independent of the parameters of the relaxation. On the contrary, for the algebraic decay of the confinement, the dynamics at long times is determined by the exponent of the decay. Finally, using the two-time correlation function for the position of the Brownian particle, we construct the persistence probability for the Brownian walker in such a scenario.

cond-mat.stat-mech↗
arXiv2012

Search for pair production of the scalar top quark in muon+tau final states

We present a search for the pair production of scalar top quarks ($\tilde{t}_{1}$), the lightest supersymmetric partners of the top quarks, in $p\bar{p}$ collisions at a center-of-mass energy of 1.96 TeV, using data corresponding to an integrated luminosity of {7.3 $fb^{-1}$} collected with the \dzero experiment at the Fermilab Tevatron Collider. Each scalar top quark is assumed to decay into a $b$ quark, a charged lepton, and a scalar neutrino ($\tildeν$). We investigate final states arising from $\tilde{t}_{1} \bar{\tilde{t}_{1}} \rightarrow b\bar{b}μτ\tildeν \tildeν$ and $\tilde{t}_{1} \bar{\tilde{t}_{1}} \rightarrow b\bar{b}ττ\tildeν \tildeν$. With no significant excess of events observed above the background expected from the standard model, we set exclusion limits on this production process in the ($m_{\tilde{t}_{1}}$,$m_{\tildeν}$) plane.

hep-ex↗
arXiv2011

Velocity autocorrelation function of a Brownian particle

In this article, we present molecular dynamics study of the velocity autocorrelation function (VACF) of a Brownian particle. We compare the results of the simulation with the exact analytic predictions for a compressible fluid from [6] and an approximate result combining the predictions from hydrodynamics at short and long times. The physical quantities which determine the decay were determined from separate bulk simulations of the Lennard-Jones fluid at the same thermodynamic state point.We observe that the long-time regime of the VACF compares well the predictions from the macroscopic hydrodynamics, but the intermediate decay is sensitive to the viscoelastic nature of the solvent.

cond-mat.soft↗
arXiv2011

Generalised Einstein Relation for Hot Brownian Motion

The Brownian motion of a hot nanoparticle is described by an effective Markov theory based on fluctuating hydrodynamics. Its predictions are scrutinized over a wide temperature range using large-scale molecular dynamics simulations of a hot nanoparticle in a Lennard-Jones fluid. The particle positions and momenta are found to be Boltzmann distributed according to distinct effective temperatures $T_\mathrm{HBM}$ and $T_\mathrm{k}$ . For $T_\mathrm{HBM}$ we derive a formally exact theoretical prediction and establish a generalised Einstein relation that links it to directly measurable quantities.

cond-mat.soft↗
arXiv2011

Precise measurement of the top quark mass in the dilepton channel at D0

We measure the top quark mass (mt) in ppbar collisions at a center of mass energy of 1.96 TeV using dilepton ttbar->W+bW-bbar->l+nubl-nubarbbar events, where l denotes an electron, a muon, or a tau that decays leptonically. The data correspond to an integrated luminosity of 5.4 fb-1 collected with the D0 detector at the Fermilab Tevatron Collider. We obtain mt = 174.0 +- 1.8(stat) +- 2.4(syst) GeV, which is in agreement with the current world average mt = 173.3 +- 1.1 GeV. This is currently the most precise measurement of mt in the dilepton channel.

hep-ex↗
arXiv2010

Search for pair production of the scalar top quark in the electron-muon final state

We report the result of a search for the pair production of the lightest supersymmetric partner of the top quark ($\tilde{t}_1$) in $p\bar{p}$ collisions at a center-of-mass energy of 1.96 TeV at the Fermilab Tevatron collider corresponding to an integrated luminosity of 5.4 fb$^{-1}$. The scalar top quarks are assumed to decay into a $b$ quark, a charged lepton, and a scalar neutrino ($\tildeν$), and the search is performed in the electron plus muon final state. No significant excess of events above the standard model prediction is detected, and improved exclusion limits at the 95% C.L. are set in the the ($M_{\tilde{t}_1}$,$M_{\tildeν}$) mass plane.

hep-ex↗