A. Ghafari†, A.R. Peeketi†, T. Yadav†, et al.

Nature Catalysis, 2026 · co-first-author

Overturned the prevailing oxyl OER mechanism on beta-NiOOH; showed pseudocapacitive hydroxyl charge storage drives OER via water nucleophilic attack, validated against three independent operando spectroscopy techniques.

A.R. Peeketi, B.P. Uberuaga, T.E. Jones

, 2026 · first-author

HIPPIE-NN: per-fragment charge constraints in a PyTorch-native ML potential that captures the electric double layer at electrochemical interfaces.

T. Götsch, A.R. Peeketi, T.E. Jones, et al.

, 2026 · co-author

DFT study of oxygen surface chemistry during alkaline OER on cobalt electrocatalysts.

A. Bergmann, A. Herzog, A.R. Peeketi, et al.

, 2026 · co-author

In situ time-resolved XRD study of lattice strain in oxide-derived Cu during CO2 electroreduction.

A.R. Peeketi, L. Rekhi, et al.

Electronic Structure, 2026 · first-author

Resolved the origin of metallic conductivity in Pt3O4 via 12-level DFT benchmarking; Pt-O covalency persists across all functional/U/SOC settings, overturning the charge-disproportionation hypothesis.

N.C.S. Neeraj, A.R. Peeketi, et al.

Soft Matter, 2025 · co-author

Demonstrated multi-wavelength actuation in dual-dye LCN films; FEM platform from PhD underpins the study.

D. Jayoti†, A.R. Peeketi†, R.K. Annabattula

Polymer, 2025 · co-first-author

Two-term kinetic model for azobenzene-crosslinked LCN, with genetic-algorithm inverse parameter identification across 5 polymer compositions.

L. Yue, A.R. Peeketi, et al.

Advanced Materials, 2024 · co-author

3-stage FEM process simulation (pre-stretch to vacuum thermoforming to actuation) predicted 18% height reduction matching experimental ~20%; Advanced Materials IF ~29.

A.R. Peeketi, E. Joseph, et al.

The Journal of Chemical Physics, 2024 · first-author

First all-atom MD study of photo-isomerization in LCPs at realistic 8 mol% azo loading; disproved static-geometry hypothesis — dynamic trans-cis-trans cycling is required for 15.7% density reduction.

A.R. Peeketi, N. Swaminathan, R.K. Annabattula

Mechanics of Materials, 2023 · first-author

First closed-form curvature formula for partially covered bilayer actuators, generalizing Timoshenko (1925); single dimensionless parameter governs three design regimes; 1,000x FEM speedup.

A.R. Peeketi†, D. Jayoti†, et al.

ACS Applied Materials & Interfaces, 2023 · co-first-author

Discovered geometric design rule (center of geometry vs material line) governing self-sustained oscillations in LCP films on hot plates; ~1°C fluctuations sustain 0.5-2.5 Hz limit cycles.

A.R. Peeketi, J.A.H.P. Sol, et al.

Journal of Polymer Science, 2023 · first-author

91-layer composite shell FEM identified optimal actuator geometry for flat-to-cone morphing; predictions guided experimental fabrication at TU Eindhoven.

D. Jayoti, A.R. Peeketi, et al.

Soft Matter, 2022 · co-author

FEM study of NIR cantilever actuation with ~20 mm displacement; bidirectional actuation and flutter instability demonstrated.

M. del Pozo, A.R. Peeketi, et al.

ACS Applied Materials & Interfaces, 2021 · co-author

FEM predicted 40% coverage outperforms 100% in displacement; Akhil performed all FEM simulations.

A. Ramgopal, A.R. Peeketi, R.K. Annabattula

Soft Matter, 2021 · co-author

FEM design of light-driven motorless cart; peristaltic-heartbeat mode achieves 13x speed advantage over homogeneous propagation.

A.R. Peeketi, N. Swaminathan, R.K. Annabattula

Journal of Applied Physics, 2021 · first-author

First unified photo-chemo/thermo-mechanical FEM platform for LCN actuators; validated across 3 chromophore types; platform underpins 13+ publications across 4 international groups.

M. Pilz da Cunha, A.R. Peeketi, et al.

ChemistryOpen, 2020 · co-author

FEM predicted light-driven oscillation at 1.7-3.1 Hz with self-shadowing feedback; threshold ~200 mW/cm2.

K. Mehta†, A.R. Peeketi†, L. Liu†, et al.

Applied Physics Reviews, 2020 · co-first-author

Review of LCN modeling and applications; Applied Physics Reviews, IF ~13.

R.K. Desu†, A.R. Peeketi†, R.K. Annabattula

Fusion Engineering and Design, 2020 · co-first-author

Largest-scale TDEM parametric study of fusion breeder pebble beds; layered dual-phase design achieves 18% ETC improvement at 8% volume fraction.

K. Mehta, A.R. Peeketi, et al.

Mechanics of Materials, 2020 · co-author

FEM of surface wave propagation in photo-responsive viscoelastic LCN; wave frequency matches light source frequency; independently controllable wave parameters demonstrated.

A.R. Peeketi, M. Moscardini, et al.

Granular Matter, 2019 · first-author

Six parametric correlations for granular bed ETC from 40+ DEM configurations; validated across 8+ ceramics at 25-800°C; widest material coverage of any prior model.

M. Pilz da Cunha, A.R. Peeketi, et al.

Chemical Communications, 2019 · co-author

FEM of self-sustained rocking actuator at 70-80°C; 7.2 cm/s tip speed; chaotic oscillatory motion captured.

A.R. Peeketi, R.K. Desu, et al.

Computational Particle Mechanics, 2019 · first-author

First spatially resolved thermal simulation of a complete fusion breeder unit (~12 million particles); DEM-ANN-FEM hierarchical coupling revealed 34% ETC spatial variation, proving uniform-ETC assumptions inadequate.

R.K. Desu†, A.R. Peeketi†, R.K. Annabattula

Computational Particle Mechanics, 2019 · co-first-author

ANN surrogate (R2=0.99) reduces granular bed ETC computation from ~4 hours to seconds; implicitly captures Smoluchowski S-curve without explicit formulation.

J.A.H.P. Sol, A.R. Peeketi, et al.

Chemical Communications, 2019 · co-author

FEM matched experimental tight-rolling geometry of bio-inspired tapered LCN actuator at 6 temperatures; 3.5 rotations predicted at 100°C.

A.R. Peeketi, M. Moscardini, et al.

Fusion Engineering and Design, 2018 · first-author

Analytical + DEM model for pebble-bed ETC validated against experiments at 25-800°C; ~7% agreement; outperforms 4 prior literature models.