• December 2023 - Camila passes her Thesis Proposal examination. Congrats Camila!
  • November 2023 - Fanbo passes his PhD qualifying examination. Congrats Fanbo!
  • May 2023 - Fanbo leads our group's contribution—a paper on performance tradeoffs associated with machine learning surrogates—to a JCTC special issue: Machine Learning for Molecular Simulation
  • September 2022 - Dr. Wenhui Li joins our group as a Postdoctoral Fellow. Dr. Li comes to IU from University of Alberta, Canada where he completed his PhD. Welcome, Wenhui!
  • August 2022 - ISE PhD student Camila Faccini de Lima joins our group. Welcome, Camila!
  • July 2022 - Big congratulations to Dr. JCS Kadupitiya. Kadupitiya has joined Microsoft where he will work on the Planet-Scale AI/Deep Learning group. We wish you the best of luck and success in the future, Kadupitiya—we will miss you!
  • May 2022 - JCS Kadupitiya receives a 2022 Luddy Outstanding Research Award. Heartiest congratulations to Kadupitiya for this richly deserved honor!
  • May 2022 - Paper "Multilayered ordered protein arrays self-assembled from a mixed population of virus-like particles" by Nick in collaboration with Trevor Douglas group is published in ACS Nano!
  • Apr 2022 - Paper "Solving Newton's equations of motion with large timesteps using recurrent neural networks based operators" by Kadupitiya in collaboration with Geoffrey Fox is published in Machine Learning: Science and Technology! Glad to see this work getting out after 2 years of failed attempts.
  • Oct 2021 - Paper "Probing the Rheological Properties of Liquids Under Conditions of Elastohydrodynamic Lubrication Using Simulations and Machine Learning" by Kadupitiya is highlighted in the November edition of the Society of Tribology & Lubrication Technology (STLE) magazine in the article Editors’ Selections: Best from STLE’s Research Community.
  • Aug 2021 - Big congratulations to Dr. Nicholas E. Brunk. Nick is the first student from the group to graduate with a PhD!! Nick has joined VeriSIM Life as a Senior Scientist. We wish you the best of luck and success in the future, Nick—we will miss you!
  • May 2021 - Paper "Probing the Rheological Properties of Liquids Under Conditions of Elastohydrodynamic Lubrication Using Simulations and Machine Learning" by Kadupitiya is published in Tribology Letters in a special issue that pays tribute to Mark Robbins. Mark was a giant in the fields of soft matter and polymer physics, and an exceptionally warm and empathetic person. We miss him. Paper | Special Issue
  • April 2021 - Nicholas Brunk joins VeriSIM Life as a Senior Scientist. JCS Kadupitiya will join Microsoft Research as a Summer Intern in May 2021. Congratulations Nick and Kadupitiya!
  • Dec 2020 - Paper "Designing Surface Charge Patterns for Shape Control of Deformable Nanoparticles" by Nicholas and Kadupitiya published in Physical Review Letters! Luddy Story
  • Dec 2020 - Paper "Ionic Structure and Decay Length in Highly Concentrated Confined Electrolytes" by Nasim selected as Featured Article in AIP Advances and as AIP Scilight!
  • April 2020 - Vikram selected as one of the 5 winners of the Indiana University Outstanding Junior Faculty Award! IU story
  • Dec 2019 - Conference paper "Machine learning for performance enhancement of molecular dynamics simulations" selected among the Best Papers of ICCS 2019.
  • July 2019 - Paper "Rheological Properties of Liquids under Conditions of Elastohydrodynamic Lubrication" is chosen as one of the 2019 Tribology Letters Editor's Choice!
  • July 2019 - Paper "Computational Studies of Shape Control of Charged Deformable Nanocontainers" selected for the 2019 Emerging Investigators Issue of the Journal of Materials Chemistry B!
  • Mar 2019 - We had a fun March Meeting 2019 in Boston (aside from the cold)! This includes a nice get-together with members from nanoMFG (Urbana) and nanoHUB (Purdue) nodes.
    group1 group_nanoHUB1
  • Mar 2018 - We receive a NSF CAREER award! We thank the NSF and the materials research community for this tremendous honor and support. SICE story
  • Dec 2017 - App to simulate ions in nanoconfinement is released on nanoHUB. Designed in collaboration with the Fox group, this app is part of the IU Engineered nanoBIO node.
    Ions in nanoconfinement
  • Sep 2017 - We are part of the team that receives a NSF award to establish Engineered nanoBIO node at IU. The node will develop web-based computational nanotechnology tools to advance nanoscale device design. SICE story
    Nanodevices change shape
  • Jul 2017 - Work on probing large viscosities of glass-forming materials using nonequilibrium shear simulations is published; also, see related correction and our reply in response to a letter on the original aritcle
    Shear squalane