diff --git a/_config.yml b/_config.yml
index 48204dd..f83fe06 100644
--- a/_config.yml
+++ b/_config.yml
@@ -50,7 +50,7 @@ navigation:
- title: People
link: /people.html
- title: Research
- link: /index.html#research
+ link: /research.html
- title: News
link: /index.html#news
- title: Publications
diff --git a/_data/research.yml b/_data/research.yml
new file mode 100644
index 0000000..4936005
--- /dev/null
+++ b/_data/research.yml
@@ -0,0 +1,171 @@
+intro: >-
+ Our research connects electrochemical materials, physics-based modeling,
+ scientific machine learning, and system-level analysis to design safer,
+ higher-performing batteries and sustainable electrochemical technologies.
+
+sections:
+ - id: research-areas
+ title: Research Areas
+ note: >-
+ Current application areas span batteries, electrochemical manufacturing,
+ scientific AI, automated experimentation, and the infrastructure needed to
+ deploy electrochemical technologies.
+ topics:
+ - title: Battery Electrodes and Interfaces Design
+ publications: battery_materials
+ description: >-
+ We design and model materials for next-generation batteries, including
+ cathodes, anodes, electrolytes, and electrochemical interfaces. This
+ work aims to improve energy density, power capability, safety,
+ lifetime, and performance under demanding operating conditions such as
+ fast charging, low temperature, and high-rate cycling.
+
+ - title: Battery Electrolyte Discovery
+ publications: electrolytes
+ description: >-
+ We develop new approaches for discovering and optimizing battery
+ electrolytes. This work spans liquid and solid electrolyte systems,
+ ion transport, solvation structure, interfacial stability, and
+ formulation design for lithium-ion, lithium-metal, and emerging
+ battery chemistries.
+
+ - title: High-Energy-Density Batteries for Electric Aviation
+ publications: electric_aviation
+ description: >-
+ We develop battery materials, models, and design principles for
+ electric aviation, where cells must meet stringent requirements for
+ specific energy, power and lifetime. This research connects materials
+ design to aircraft-relevant duty cycles and system-level performance
+ targets.
+
+ - title: Battery Modeling, Management, and Control
+ publications: battery_modeling
+ description: >-
+ We build models that connect electrochemical mechanisms to cell- and
+ system-level behavior. These models support performance prediction,
+ degradation analysis, state estimation and optimization.
+
+ - title: Electrocatalysis and Electrochemical Manufacturing
+ publications: electrocatalysis_manufacturing
+ description: >-
+ We design and analyze electrochemical systems for sustainable chemical
+ and materials production. Research areas include ammonia synthesis,
+ low-carbon iron and cement production, and broader efforts to
+ electrify chemical manufacturing.
+
+ - title: Electric Mobility and Charging Infrastructure
+ publications: mobility_charging
+ description: >-
+ We have studied the broader energy-system implications of
+ battery-powered transportation, including electric vehicle adoption,
+ charging infrastructure deployment, battery cost modeling, and
+ techno-economic analysis. This work connects electrochemical
+ technology development to transportation and infrastructure planning.
+
+ - title: Foundation Models for Molecules and Materials
+ publications: foundation_models
+ description: >-
+ We train and apply large-scale foundation models that learn general
+ representations of molecules, crystals, and materials from large
+ datasets. These models can be adapted to downstream tasks such as
+ property prediction, electrolyte screening, molecular discovery, and
+ materials design.
+
+ - title: AI Agents for Scientific Research
+ publications: ai_agents
+ description: >-
+ We develop AI agents that can plan, execute, monitor, and refine
+ scientific workflows. In materials simulation, this includes agentic
+ systems that coordinate structure generation, density functional
+ theory workflows, convergence testing, high-performance computing job
+ submission, error handling, and result interpretation. The DREAMS
+ framework is an example of this direction, using a hierarchical
+ multi-agent system for DFT-based materials simulation.
+
+ - title: Automated Experimentation and Self-Driving Labs
+ publications: automated_experimentation
+ description: >-
+ We develop and use automated experimental workflows that combine
+ robotics, data infrastructure, and machine learning. These platforms
+ support rapid preparation, measurement, and optimization of
+ electrolyte formulations. We developed the Clio robotic platform,
+ which integrates multiple experimental modules under a shared software
+ framework, ElyteOS. It autonomously prepares liquid formulations,
+ performs electrochemical measurements, and characterizes their
+ properties. Complementing Clio, the SALSA (Salt Solubility Assessment)
+ module uses a deep learning model for optical recognition, capturing
+ real-time dissolution curves.
+
+ - id: research-methods
+ title: Research Methods
+ note: >-
+ The group combines electronic-structure simulation, molecular dynamics,
+ continuum electrochemical modeling, differentiable physics, phase-field
+ modeling, and high-performance computing.
+ topics:
+ - title: First-Principles Electronic-Structure Modeling
+ publications: first_principles
+ description: >-
+ We use Density Functional Theory (DFT) to study structure-property
+ relation, material stability, transition states, electronic
+ structures, and interfacial reactions. These simulations provide
+ molecular- and atomic-scale insight into electrochemical materials and
+ properties.
+
+ - title: Molecular Dynamics
+ publications: molecular_dynamics
+ description: >-
+ We use Molecular Dynamics (MD) to study solvation structures and
+ transport properties (diffusivity, ionic conductivity, viscosity, etc)
+ of electrolytes to facilitate next-generation electrolyte design. We
+ also apply and develop machine learning interatomic potentials for
+ studying disordered materials and performing high-fidelity large-scale
+ atomistic simulations.
+
+ - title: Continuum Scale Electrochemical Modeling
+ publications: continuum_electrochemical_modeling
+ description: >-
+ We develop models that bridge length and time scales, from atomistic
+ chemistry to transport, interfaces, cell behavior, and system-level
+ performance. This includes models for next generation chemistries such
+ as silicon anodes and conversion cathodes which can not be fully
+ studied using conventional Doyle-Fuller-Newman or Single Particle
+ battery models.
+
+ - title: Differentiable Physics
+ publications: differentiable_electrochemistry
+ description: >-
+ We develop solver-in-the-loop style differentiable models for the
+ purposes of parameter estimation and inverse design. Recent work
+ includes an end-to-end differentiable approach for connecting
+ electrochemical theory with experimental data and learning optimal TVD
+ flux limiters for finite volume schemes. In the past we have also
+ worked on learning closure models using this approach for wall bounded
+ turbulent flows.
+
+
+ - title: Phase-Field Modeling
+ publications: phase_field
+ description: >-
+ We use phase-field models to study morphological evolution in
+ electrochemical materials, with emphasis on how transport, reaction
+ kinetics, and interfacial energetics govern dendrite growth,
+ deposition stability, and degradation. Representative examples include
+ phase-field simulations of lithium electrodeposition and the design of
+ liquid crystalline electrolytes for stabilizing metal deposition and
+ suppressing dendrites.
+
+ - title: High-Performance Computing
+ publications: hpc
+ description: >-
+ We use high-performance computing to scale simulations, materials
+ screening, electrochemical modeling, AI agents, and foundation model
+ training. Large-scale computing enables the group to explore chemical
+ and materials spaces that would be inaccessible with conventional
+ workflows. We have dedicated access to the Artemis high-performance
+ computing cluster, housed in the University of Michigan Lighthouse,
+ which provides CPU, GPU, and large-memory resources for molecular
+ simulation, machine learning, and agentic workflow development. In
+ addition to Artemis, the group has received substantial national
+ cyberinfrastructure allocations through the NSF ACCESS and DOE INCITE
+ programs.
diff --git a/_data/research_publications.yml b/_data/research_publications.yml
new file mode 100644
index 0000000..7c68431
--- /dev/null
+++ b/_data/research_publications.yml
@@ -0,0 +1,108 @@
+battery_materials:
+ - title: "Thermodynamic Origin of Li Underpotential and Overpotential Deposition on Current Collectors"
+ url: "https://pubs.acs.org/doi/full/10.1021/acs.jpcc.5c01078"
+ image: "img/papers/underpotential.jpeg"
+ - title: "Effect of Weakened Bond Covalence on the Electronic, Thermal, and Elastic Properties of Disordered Graphite Monofluorides"
+ url: "https://pubs.acs.org/doi/full/10.1021/acs.jpcc.5c02056"
+ image: "img/papers/cfx.jpeg"
+
+electrolytes:
+ - title: "Differentiable Modeling and Optimization of Non-Aqueous Li-based Battery Electrolyte Solutions Using Geometric Deep Learning"
+ url: "https://doi.org/10.1038/s41467-024-51653-7"
+ image: "img/papers/differentiable_electrolytes.png"
+ - title: "Autonomous Optimization of Non-Aqueous Li-Ion Battery Electrolytes via Robotic Experimentation and Machine Learning Coupling"
+ url: "https://www.nature.com/articles/s41467-022-32938-1"
+ image: "img/papers/autonomous_electrolytes.png"
+
+electric_aviation:
+ - title: "Performance Metrics Required of Next-Generation Batteries to Electrify Commercial Aircraft"
+ url: "https://pubs.acs.org/doi/abs/10.1021/acsenergylett.9b02574"
+ image: "img/papers/electric_aircraft_metrics.jpg"
+ - title: "A Battery Dataset for Electric Vertical Takeoff and Landing Aircraft"
+ url: "https://doi.org/10.1038/s41597-023-02180-5"
+ image: "img/papers/evtol_dataset.jpg"
+
+battery_modeling:
+ - title: "Open-Circuit Voltage Models Should Be Thermodynamically Consistent"
+ url: "https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c03129"
+ image: "img/papers/ocv_thermodynamics.jpg"
+ - title: "A Model Predictive Control Scheme for Fast Charging via Accurate Quadratic Battery Models"
+ url: "https://ieeexplore.ieee.org/abstract/document/9867614"
+ image: "img/papers/mpc_fast_charging.jpg"
+
+electrocatalysis_manufacturing:
+ - title: "Lithium Nitride Formation in Lithium-Mediated Electrochemical Ammonia Synthesis Can Be Enhanced with the Right Proton Donor"
+ url: "https://www.sciencedirect.com/science/article/pii/S002195172500315X"
+ image: "img/papers/lithium_nitride_toc.jpg"
+ - title: "Electrowinning for Room-Temperature Ironmaking: Mapping the Electrochemical Aqueous Iron Interface"
+ url: "https://pubs.acs.org/doi/full/10.1021/acs.jpcc.4c01867"
+ image: "img/papers/electrowinning_iron.jpg"
+
+mobility_charging:
+ - title: "Scaling Behavior for Electric Vehicle Chargers and Road Map to Addressing the Infrastructure Gap"
+ url: "https://eeg.engin.umich.edu/evse-scaling-behavior/"
+ image: "img/papers/evse_scaling.jpg"
+ - title: "INCEPTS: Software for High-Fidelity Electric Vehicle En Route State of Charge Estimation, Fleet Analysis and Charger Deployment"
+ url: "https://doi.org/10.1016/j.etran.2021.100106"
+ image: "img/papers/incepts.jpg"
+
+first_principles:
+ - title: "DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation"
+ url: "https://arxiv.org/abs/2507.14267"
+ image: "img/papers/dreams_cover.png"
+ - title: "Quantifying Robustness of DFT Predicted Pathways and Activity Determining Elementary Steps for Electrochemical Reactions"
+ url: "https://dx.doi.org/10.1063/1.5056167"
+ image: "img/papers/dft_pathway_robustness.jpg"
+
+molecular_dynamics:
+ - title: "Contrasting Sodium-Ion and Lithium-Ion Localized High-Concentration Electrolytes with Molecular Dynamics Simulations"
+ url: "https://iopscience.iop.org/article/10.1149/MA2025-025785mtgabs"
+ image: "img/papers/sodium_lhce_cover.jpg"
+ - title: "Understanding Ion Pairing in High-Salt Concentration Electrolytes Using Classical Molecular Dynamics Simulations and Its Implications for Nonaqueous Li-O2 Batteries"
+ url: "https://dx.doi.org/10.1021/acs.jpcc.8b00944"
+ image: "img/papers/ion_pairing_high_salt.jpg"
+
+continuum_electrochemical_modeling:
+ - title: "Universal Battery Performance and Degradation Model for Electric Aircraft"
+ url: "https://arxiv.org/abs/2008.01527"
+ image: "img/papers/universal_aircraft_battery_model.jpg"
+ - title: "Open-Circuit Voltage Models Should Be Thermodynamically Consistent"
+ url: "https://pubs.acs.org/doi/full/10.1021/acs.jpclett.3c03129"
+ image: "img/papers/ocv_thermodynamics.jpg"
+
+differentiable_electrochemistry:
+ - title: "Differentiable Electrochemistry: A Paradigm Characterizing Physical Laws in Electrochemical Systems"
+ url: "https://pubs.acs.org/doi/10.1021/acsenergylett.5c03761"
+ image: "img/papers/diff_electrochemistry.jpeg"
+ - title: "Learning Second-Order TVD Flux Limiters Using Differentiable Solvers"
+ url: "https://pubs.aip.org/aip/pof/article/38/3/036102/3381829/Learning-second-order-total-variation-diminishing"
+ image: "img/papers/diff_tvd.jpeg"
+
+foundation_models:
+ - title: "Foundation Models for Discovery and Exploration in Chemical Space"
+ url: "https://arxiv.org/abs/2510.18900"
+ image: "img/papers/scaling.svg"
+ - title: "CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning"
+ url: "https://arxiv.org/abs/2506.17345"
+ image: "img/papers/scope.png"
+
+ai_agents:
+ - title: "DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation"
+ url: "https://arxiv.org/abs/2507.14267"
+ image: "img/papers/dreams_cover.png"
+
+automated_experimentation:
+ - title: "ElyteOS: Software for Automated Electrolyte Preparation, Measurement, and Data Management"
+ url: "https://chemrxiv.org/doi/full/10.26434/chemrxiv-2025-6wq3x"
+ image: "img/papers/elyteos.jpg"
+ - title: "SALSA: A Low-Cost Self-Driving Lab for Salt Solubility Assessment for Battery Electrolytes"
+ url: "https://chemrxiv.org/doi/full/10.26434/chemrxiv-2025-17lfp"
+ image: "img/papers/salsa.gif"
+
+phase_field:
+ - title: "Open-Sourcing Phase-Field Simulations for Accelerating Energy Materials Design and Optimization"
+ url: "https://doi.org/10.1021/acsenergylett.0c01904"
+ image: "img/papers/open_source_phase_field.jpeg"
+ - title: "Phase-Field Simulations of Lithium Dendrite Growth with Open-Source Software"
+ url: "https://dx.doi.org/10.1021/acsenergylett.8b01009"
+ image: "img/papers/phase_field_dendrite.jpeg"
diff --git a/_data/software.yml b/_data/software.yml
index 55c9ec7..8b1edb7 100644
--- a/_data/software.yml
+++ b/_data/software.yml
@@ -1,3 +1,26 @@
+MISTModels:
+ title: MIST
+ link: "https://huggingface.co/mist-models"
+ description: "MIST is a family of molecular foundation models for molecular property prediction."
+ image: /img/software/mist_logo_v0.png
+ year: 2026
+ authors: "Anoushka Bhutani, Alexius Wadell"
+
+SmirkTokenizer:
+ title: Smirk
+ link: "https://eeg.engin.umich.edu/smirk/"
+ description: "Smirk is a chemistry-specific tokenizer that provides complete coverage of the OpenSMILES specification."
+ image: /img/software/smirk-logo.svg
+ year: 2025
+ authors: "Alexius Wadell, Anoushka Bhutani"
+
+ASIMTools:
+ title: Atomic SIMulation Tools
+ link: "https://eeg.engin.umich.edu/asimtools/"
+ description: "A lightweight workflow and simulation manager for reproducible atomistic simulations that can be transferred across environments, calculators and structures on Unix systems. ."
+ year: 2023
+ authors: "Mgcini Keith Phuthi, Emil Annevelink"
+
BatteryCost:
title: "BatteryCost.jl"
link: "https://github.com/BattModels/BatteryCost"
@@ -25,7 +48,6 @@ ChemistryFeaturization:
authors: "Rachel Kurchin, Anant Thazhemadam, Sean Sun"
-
MHC_DOS:
title: "MHC_DOS"
link: "https://github.com/aced-differentiate/MHC_DOS"
diff --git a/_includes/research-publications.html b/_includes/research-publications.html
new file mode 100644
index 0000000..6709a94
--- /dev/null
+++ b/_includes/research-publications.html
@@ -0,0 +1,22 @@
+{% assign papers = include.items %}
+{% if papers %}
+