19 Publications
2023
Electrical properties of tissues from a microscopic model of confined electrolytes.
Solis, Francisco J and Jadhao, Vikram
Physics in medicine and biology, April 21, 2023. | Journal Article
 
Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations.
Sun, Fanbo⋅Kadupitiya, Jcs and Jadhao, Vikram
Journal of chemical theory and computation, April 24, 2023. | Journal Article
 
Rheological Properties of Small-Molecular Liquids at High Shear Strain Rates
Li, Wenhui⋅Kadupitiya, JCS and Jadhao, Vikram
Polymers, vol. 15, (no. 9), 2023. | Journal Article
 
Shape control of deformable charge-patterned nanoparticles.
Sun, Fanbo⋅Brunk, Nicholas E and Jadhao, Vikram
Physical review. E, vol. 107, (no. 1-1), pp. 014502, January 2023. | Journal Article
2022
Multilayered Ordered Protein Arrays Self-Assembled from a Mixed Population of Virus-like Particles.
Uchida, Masaki⋅Uchida, Masaki⋅Brunk, Nicholas E.⋅Brunk, Nicholas E⋅Hewagama, Nathasha D⋅Hewagama, Nathasha D.⋅Lee, Byeongdu⋅Lee, Byeongdu⋅Prevelige, Peter E⋅Prevelige Jr, Peter E.⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Douglas, Trevor and Douglas, Trevor
ACS nano, May 12, 2022. | Journal Article
2020
Designing Surface Charge Patterns for Shape Control of Deformable Nanoparticles.
Brunk, Nicholas E⋅Kadupitiya, Jcs and Jadhao, Vikram
Physical review letters, vol. 125, (no. 24), pp. 248001, December 11, 2020. | Journal Article
 
Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles
Kadupitiya, JCS⋅Kadupitiya, JCS⋅Fox, Geoffrey C⋅Fox, Geoffrey C⋅Jadhao, Vikram and Jadhao, Vikram
The International Journal of High Performance Computing Applications, vol. 34, (no. 3), pp. 374, 20200500. | Journal Article
 
Machine learning surrogates for molecular dynamics simulations of soft materials
Kadupitiya, J.C.S⋅Kadupitiya, J.C.S⋅Sun, Fanbo⋅Sun, Fanbo⋅Fox, Geoffrey⋅Fox, Geoffrey⋅Jadhao, Vikram and Jadhao, Vikram
Journal of Computational Science, vol. 42, pp. 101107, April 2020. | Journal Article
2019
Learning Everywhere: Pervasive Machine Learning for Effective High-Performance Computation
Fox, Geoffrey⋅Fox, Geoffrey⋅Fox, Geoffrey⋅Fox, Geoffrey⋅Fox, Geoffrey⋅Fox, Geoffrey⋅Glazier, James A⋅Glazier, James A⋅Glazier, James A⋅Glazier, James A⋅Glazier, James A⋅Glazier, James A⋅Kadupitiya, JCS⋅Kadupitiya, JCS⋅Kadupitiya, JCS⋅Kadupitiya, JCS⋅Kadupitiya, JCS⋅Kadupitiya, JCS⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Kim, Minje⋅Kim, Minje⋅Kim, Minje⋅Kim, Minje⋅Kim, Minje⋅Kim, Minje⋅Qiu, Judy⋅Qiu, Judy⋅Qiu, Judy⋅Qiu, Judy⋅Qiu, Judy⋅Qiu, Judy⋅Sluka, James P⋅Sluka, James P⋅Sluka, James P⋅Sluka, James P⋅Sluka, James P⋅Sluka, James P⋅Somogyi, Endre⋅Somogyi, Endre⋅Somogyi, Endre⋅Somogyi, Endre⋅Somogyi, Endre⋅Somogyi, Endre⋅Marathe, Madhav⋅Marathe, Madhav⋅Marathe, Madhav⋅Marathe, Madhav⋅Marathe, Madhav⋅Marathe, Madhav⋅Adiga, Abhijin⋅Adiga, Abhijin⋅Adiga, Abhijin⋅Adiga, Abhijin⋅Adiga, Abhijin⋅Adiga, Abhijin⋅Chen, Jiangzhuo⋅Chen, Jiangzhuo⋅Chen, Jiangzhuo⋅Chen, Jiangzhuo⋅Chen, Jiangzhuo⋅Chen, Jiangzhuo⋅Beckstein, Oliver⋅Beckstein, Oliver⋅Beckstein, Oliver⋅Beckstein, Oliver⋅Beckstein, Oliver⋅Beckstein, Oliver⋅Jha, Shantenu⋅Jha, Shantenu⋅Jha, Shantenu⋅Jha, Shantenu⋅Jha, Shantenu and Jha, Shantenu
2019-02-27. | Journal Article
 
Machine Learning for Parameter Auto-tuning in Molecular Dynamics Simulations: Efficient Dynamics of Ions near Polarizable Nanoparticles
Kadupitiya, JCS⋅Kadupitiya, JCS⋅Fox, Geoffrey C⋅Fox, Geoffrey C⋅Jadhao, Vikram and Jadhao, Vikram
2019-10-31. | Journal Article
2015
Ionic structure in liquids confined by dielectric interfaces
Jing, Yufei⋅Jing, Yufei⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Zwanikken, Jos W⋅Zwanikken, Jos W⋅Olvera De La Cruz, Monica and Olvera de la Cruz, Monica
The Journal of chemical physics, vol. 143, (no. 19), pp. 194508, 2015-Nov-21. | Journal Article
2014
Electrostatics-driven shape transitions in soft shells
Jadhao, Vikram⋅Jadhao, Vikram⋅Thomas, Creighton⋅Thomas, Creighton K⋅Cruz, Monica and Olvera De La Cruz, Monica
Proceedings of the National Academy of Sciences of the United States of America, vol. 111, (no. 35), pp. 12678, 20140902. | Journal Article
2013
A variational formulation of electrostatics in a medium with spatially varying dielectric permittivity
Jadhao, Vikram⋅Jadhao, Vikram⋅Solis, Francisco J⋅Solis, Francisco J⋅Olvera de la Cruz, Monica and Olvera De La Cruz, Monica
The Journal of chemical physics, vol. 138, (no. 5), pp. 054119, 2013-Feb-07. | Journal Article
 
Free-energy functionals of the electrostatic potential for Poisson-Boltzmann theory
Jadhao, Vikram⋅Jadhao, Vikram⋅Solis, Francisco J⋅Solis, Francisco J⋅de la Cruz, Monica Olvera and Olvera De La Cruz, Monica
Physical review. E, Statistical, nonlinear, and soft matter physics, vol. 88, (no. 2), pp. 022305, 2013-Aug. | Journal Article
 
Generating true minima in constrained variational formulations via modified Lagrange multipliers
Solis, Francisco J⋅Solis, Francisco J⋅Jadhao, Vikram⋅Jadhao, Vikram⋅Olvera de la Cruz, Monica and Olvera De La Cruz, Monica
Physical review. E, Statistical, nonlinear, and soft matter physics, vol. 88, (no. 5), pp. 053306, 2013-Nov. | Journal Article
2012
Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional
Jadhao, Vikram⋅Jadhao, Vikram⋅Solis, Francisco J⋅Solis, Francisco J⋅Olvera De La Cruz, Monica and Olvera de la Cruz, Monica
Physical review letters, vol. 109, (no. 22), pp. 223905, 2012-Nov-30. | Journal Article
2010
Iterative Monte Carlo path integral with optimal grids from whole-necklace sampling
Jadhao, Vikram⋅Jadhao, Vikram⋅Makri, Nancy and Makri, Nancy
Journal of Chemical Physics, vol. 133, (no. 11), pp. 114105-8, 2010-09-17. | Journal Article
 
Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions
Jadhao, Vikram⋅Jadhao, Vikram⋅Makri, Nancy and Makri, Nancy
Journal of Chemical Physics, vol. 132, (no. 10), pp. 104110-9, 2010-03-11. | Journal Article
2008
Iterative Monte Carlo for quantum dynamics
Jadhao, Vikram⋅Jadhao, Vikram⋅Makri, Nancy and Makri, Nancy
Journal of Chemical Physics, vol. 129, (no. 16), pp. 161102-4, 2008-10-30. | Journal Article