Loverde Laboratory

Computational biophysics of chromatin and soft biological matter at the College of Staten Island and the CUNY Graduate Center.

Overview

We use all-atom and coarse-grained molecular dynamics to understand how biological assemblies hold together, move, and fall apart. Our central system is the nucleosome, the basic packaging unit of the genome. We ask how histone tails, DNA sequence, histone variants, and cancer-associated mutations change its dynamics, and how those changes are communicated across the structure. The same multiscale toolkit drives our work on peptide condensates and supramolecular materials for drug delivery.

Our simulations run on the CUNY High Performance Computing Center, NSF ACCESS, and the Anton 3 special-purpose supercomputer at the Pittsburgh Supercomputing Center. We work closely with experimental groups, and we release code and, where possible, trajectories with most of our papers.

Research

View detailed research →

• Nucleosome dynamics. How histone tails, DNA sequence, and the variant H2A.Z shape breathing, sliding, and unwrapping of nucleosomal DNA.

• Allostery and oncogenic mutations. Mapping how a mutation at one site changes motion far away, using our CONDACT conditional-activity framework.

• Peptide condensates. How charge and chirality patterning drive coacervate formation, and how drugs partition into the droplets.

• Multiscale models. Martini 3 models for small molecules, and chirality-aware peptide models in collaboration with the SIRAH developers.

Recent news

All news →

• Oct 2026Prof. Loverde gave a talk, “Rational Design of Anti-Cancer Drug Loading in Peptide Coacervates Using Interfacial Structure from Martini 3,” presenting Tania Rajpersaud's work, at the workshop Coarse-Graining in the Age of Machine Learning and Molecular Design at ENS de Lyon.
• 2026Rutika Patel began a postdoc with Prof. Alisha Jones at NYU, working on RNA.
• 2026Julie Liu and Quan Tang joined the group.
• 2026Prof. Loverde and Prisca visited Prof. Emmanuelle Bignon in Nancy, then spoke at the CECAM workshop Decoding Allostery in Protein–Nucleic Acid Complexes: The AI Revolution in Paris.

Join us

We welcome rotation students and prospective PhD students in Chemistry, Biochemistry, and Physics at the CUNY Graduate Center, as well as CSI undergraduates. No prior simulation experience is required.

Assemblies across scales

We study chromatin, peptide condensates, and soft materials with all-atom and coarse-grained molecular dynamics simulations.

Nucleosome and chromatin dynamics

The nucleosome wraps about 147 base pairs of DNA around a histone octamer. Its intrinsically disordered histone tails reach out to DNA and to neighboring nucleosomes, and they carry many post-translational modifications. We use long all-atom simulations and Markov state models to resolve the conformational states and kinetics of the H2A, H2B, H3, and H4 tails, and umbrella sampling at atomistic and coarse-grained resolution to map unwrapping free-energy landscapes as a function of DNA sequence and the histone variant H2A.Z.

Anton 3 · Markov state models · umbrella sampling · coarse-grained simulation · collaboration with Nikolova (JHU)

Allostery and oncogenic mutations

Cancer-associated histone mutations often sit far from DNA yet change how the nucleosome behaves. We developed CONDACT (conditional activity), which detects kinetic coupling between residues from simulation trajectories and traces allosteric communication through the complex. We combine it with structural and thermodynamic analysis of oncogenic mutants, and compare our results with NMR experiments from collaborators.

CONDACT · free energy · NMR collaboration (Nikolova, JHU) · Poget lab (CSI)

Featured by the Pittsburgh Supercomputing Center: Cancer Mutations Destabilize Proteins, Spur Tumor Growth

Polyelectrolyte complexes and peptide condensates

Oppositely charged peptides can phase separate into liquid coacervate droplets. We study how sequence and chirality patterning control complex formation, droplet interfaces, and the partitioning of small-molecule cancer drugs, combining coarse-grained and atomistic simulation with experiments by our collaborators.

Coarse-grained and atomistic simulation · machine learning on peptide libraries · collaboration with Leon lab (UCF)

Coarse-grained models and supramolecular materials

We use coarse-grained models alongside all-atom simulations, and we are developing Martini 3 models for small molecules. Our earlier work examined the self-assembly of peptide amphiphiles and drug-amphiphile nanotubes, and the behavior of polymer vesicles.

We are working with the SIRAH developers to incorporate chirality into coarse-grained peptide models.

SIRAH · Martini 3 · model development

Support

Our research has been supported by the NIH, NSF, and ACS PRF, with computing time from the CUNY HPCC, NSF ACCESS, Anton 3 at the Pittsburgh Supercomputing Center, and the Argonne Leadership Computing Facility. Full list of funding and computing resources →

The group

Principal investigator

Graduate students

TR

Tania Rajpersaud

Tania.Rajpersaud@csi.cuny.edu

PhD Biochemistry · NanoBioNYC Fellow · O'Halloran Scholar

Polyelectrolyte complexes, coarse-grained models of phase-separated peptides, machine-learning screens of peptide libraries.

JG

Joel Gallardo

Joel.Gallardo@csi.cuny.edu

PhD Chemistry · NanoBioNYC Fellow

Supramolecular self-assembly; Martini 3 models of pharmaceutically relevant compounds.

Prisca Baah

Prisca.Baah@csi.cuny.edu

PhD Biochemistry · O'Halloran Scholar

Oncogenic mutations in the nucleosome; chromatin remodelers.

QT

Quan Tang

Quan.Tang@csi.cuny.edu

PhD Biochemistry · O'Halloran Scholar

RNA conformational dynamics with atomistic and coarse-grained methods; transcription factors.

JL

Julie Liu

Julie.Liu@csi.cuny.edu

PhD Chemistry · O'Halloran Scholar

Interfacial properties of phase-separated droplets, combining simulation and experiment.

Undergraduate researchers

Mike Emmanuel

Emmanuel.Mike18@login.cuny.edu

Biochemistry, CSI

Molecular dynamics simulations of oncogenic mutations in the nucleosome.

Alumni

Our graduates have gone on to Takeda, OpenEye, Schrödinger, Thermo Fisher, the Flatiron Institute, and faculty and postdoctoral positions worldwide.

About thirty undergraduate and high school researchers have trained in the lab, several as co-authors, with alumni going on to Harvard, Columbia, Harvey Mudd, Rutgers, and NYU, and to internships at D. E. Shaw Research.

Publications

Also on Google Scholar and ResearchGate. Where available, code and trajectories are linked below each paper. * undergraduate author · † co-first authors · ‡ high school author

Preprints

1. Chiral patterning drives peptide coacervate formation in coarse-grained SIRAH simulationsT. Rajpersaud, T. Ateeq, L. Leon, S. Pantano, S. M. LoverdeChemRxiv

   Preprint
2. DNA sequence and histone variant H2A.Z jointly govern nucleosome unwrapping pathwaysA. Ghosh Moulick, R. Patel, T. Rajpersaud, E. N. Nikolova, S. M. LoverdebioRxiv

   Preprint

Peer-reviewed

1. H2A.Z facilitates Sox2–nucleosome interaction by promoting DNA and histone H3 tail mobilityH. Moos, R. Patel, S. Flaherty, S. M. Loverde, E. NikolovaNucleic Acids Research, 2026

   Paper
2. Mapping allosteric communication in the nucleosome with conditional activityA. Onyema, C. Dikeocha*, R. Patel, J. Moussa, S. M. LoverdeJ. Chem. Inf. Model., 2026

   PaperCodeData
3. Structural and thermodynamic impact of oncogenic mutations on the nucleosome core particleA. Onyema, C. DiForte, R. Patel, S. Poget, S. M. LoverdeBiophysical Journal, 2025

   PaperCodeData
4. Unveiling the conformational dynamics of the histone tails using Markov state modelingR. Patel, S. M. LoverdeJ. Chem. Theory Comput., 2025

   PaperCode
5. The need to implement FAIR principles in biomolecular simulationsR. E. Amaro et al., incl. S. M. LoverdeNature Methods 22, 641–645, 2025

   Paper
6. Unveiling nucleosome dynamics: a comparative study using all-atom and coarse-grained simulations enhanced by principal component analysisA. Ghosh Moulick, R. Patel, A. Onyema, S. M. LoverdeJ. Chem. Phys. 162, 065101, 2025

   PaperCodeData
7. Conformational dynamics of the nucleosomal histone H2B tails revealed by molecular dynamics simulationsR. Patel, A. Onyema, P. Tang, S. M. LoverdeJ. Chem. Inf. Model., 2024

   PaperCode
8. Sequence dependence in nucleosome dynamicsP. Khatua, P. Tang, A. Ghosh Moulick, R. Patel, A. Manandhar, S. M. LoverdeJ. Phys. Chem. B, 2024

   PaperCodePCA code
9. Molecular dynamics simulations of polyelectrolyte complexesT. Rajpersaud, S. Tabendeh, L. Leon, S. M. LoverdeBiomacromolecules, 2024

   PaperCode
10. Exploration of the nucleation pathway for supramolecular fibersP. Tang, P. Khatua, E. Carnevale, S. M. LoverdeJ. Chem. Inf. Model., 2023

    PaperCode
11. PEO-b-PBD diblock copolymers induce packing defects in lipid/hybrid membranes and improve insertion rates of natively folded peptidesJ. Steinkühler, M. Jacobs, M. Boyd, S. M. Loverde, N. KamatBiomacromolecules, 2022

    Paper
12. Domain formation in charged polymer vesiclesK. Chakraborty, P. Khatua, W. Shinoda, S. M. LoverdeMacromolecules 54, 9258–9267, 2021

    PaperCode
13. The interaction of supramolecular anticancer nanotubes with phospholipid membranesP. Tang†, A. Manandhar†, W. Hu‡, M. Kang, S. M. LoverdeNanoscale Advances 3, 370–382, 2021

    Paper
14. Interaction of camptothecin with model cellular membranesP. K. Tang, K. Chakraborty, W. Hu‡, M. Kang, S. M. LoverdeJ. Chem. Theory Comput. 16, 3373–3384, 2020

    Paper
15. Molecular simulation of the shape deformation of a polymersomeK. Chakraborty, W. Shinoda, S. M. LoverdeSoft Matter 16, 3234–3244, 2020

    PaperCode
16. Rational coarse-grained molecular dynamics simulations of supramolecular anticancer nanotubesA. Manandhar, K. Chakraborty, P. Tang, M. Kang, P. Zhang, H. Cui, S. M. LoverdeJ. Phys. Chem. B 123, 10582–10593, 2019

    Paper
17. Molecular dynamics simulations of phospholipid bilayers with polycaprolactoneM. Drenscko, S. M. LoverdeMolecular Simulation 45, 859–867, 2019

    Paper
18. Molecular mechanism for the role of the H2A and H2B histone tails in nucleosome repositioningK. Chakraborty, M. Kang, S. M. LoverdeJ. Phys. Chem. B 122, 11827–11840, 2018

    Paper
19. Molecular dynamics simulations of supramolecular anticancer nanotubesM. Kang, K. Chakraborty, S. M. LoverdeJ. Chem. Inf. Model. 58, 1164–1168, 2018

    Paper
20. Nucleotide state effect on the protofilament conformation of tubulin octamersA. Manandhar, M. Kang, K. Chakraborty, S. M. LoverdeJ. Phys. Chem. B 122, 6164–6178, 2018

    Paper
21. Glassy worm-like micelles in solvent and shear-mediated shape transitionsK. Chakraborty, K. Vijayan, A. Brown, D. E. Discher, S. M. LoverdeSoft Matter, 2018

    Paper
22. Isomeric control of the mechanical properties of supramolecular filament hydrogelsY.-A. Lin, M. Kang, W.-C. Chen, Y.-C. Ou, A. G. Cheetham, P.-H. Wu, D. Wirtz, S. M. Loverde, H. CuiBiomaterials Science 6, 216–224, 2018

    Paper
23. Coarse-grained molecular dynamics studies of the structure and stability of peptide-based drug amphiphile filamentsM. Kang, H. Cui, S. M. LoverdeSoft Matter 13, 7721–7730, 2017

    Paper
24. Molecular simulations of peptide amphiphilesA. Manandhar, M. Kang, K. Chakraborty, P. Tang, S. M. LoverdeOrg. Biomol. Chem. 15, 7993–8005, 2017

    Paper
25. Asymmetric breathing motions of nucleosomal DNA and the role of histone tailsK. Chakraborty, S. M. LoverdeJ. Chem. Phys. 147, 065101, 2017

    Paper
26. Characterization of hydrophobic collapse of polystyrene in water using free energy techniquesM. Drenscko, S. M. LoverdeMolecular Simulation 43, 234–241, 2017

    Paper
27. π–π stacking mediated chirality in functional supramolecular filamentsM. Kang, P. Zhang, H. Cui, S. M. LoverdeMacromolecules 49, 993–1001, 2016

    Paper
28. TCR triggering by pMHC ligands tethered on surfaces via poly(ethylene glycol) depends on polymer lengthZ. Ma, D. N. LeBard, S. M. Loverde, K. A. Sharp, M. L. Klein, D. E. Discher, T. H. FinkelPLoS ONE 9, e112292, 2014

    Paper
29. Molecular simulation of the concentration-dependent interaction of hydrophobic drugs with model membranesM. Kang, S. M. LoverdeJ. Phys. Chem. B 118, 11965–11972, 2014

    Paper
30. Molecular simulation of the transport of drugs across model membranesS. M. LoverdeJ. Phys. Chem. Lett. 5, 1669–1675, 2014

    Paper
31. Computer simulation of polymer and biopolymer self-assembly for drug deliveryS. M. LoverdeMolecular Simulation 40, 794–801, 2014

    Paper
32. Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamicsW. Shinoda, D. E. Discher, M. L. Klein, S. M. LoverdeSoft Matter 9, 11549–11556, 2013

    Paper
33. Filomicelles in nanomedicine: from flexible, fragmentable, and ligand-targetable drug carrier designs to combination therapy for brain tumorsN. S. Oltra, J. Swift, A. Mahmud, K. Rajagopal, S. M. Loverde, D. E. DischerJ. Mater. Chem. B, 2013

    Paper
34. Nanoparticle shape improves delivery: rational coarse grain molecular dynamics (rCG-MD) of taxol in worm-like PEG-PCL micellesS. M. Loverde, M. L. Klein, D. E. DischerAdv. Mater. 24, 3823–3830, 2012

    Paper
35. Curvature, rigidity, and pattern formation in functional polymer micelles and vesicles: from dynamic visualization to molecular simulationS. M. Loverde, D. A. Pantano, D. A. Christian, A. Mahmud, M. L. Klein, D. E. DischerCurr. Opin. Solid State Mater. Sci. 15, 277–284, 2011

    Paper
36. Rugged energy landscapes underlie phase transitions and rigidities of worm-like micelles and vesicles made with polycaprolactone-based diblock copolymersK. Rajagopal, A. Mahmud, D. A. Christian, J. D. Pajerowski, S. M. Loverde, D. E. DischerMacromolecules 43, 9736–9746, 2010

    Paper
37. Curvature driven molecular demixing in the budding and breakup of mixed component worm-like micellesS. M. Loverde, V. Ortiz, R. D. Kamien, M. L. Klein, D. E. DischerSoft Matter 6, 1419–1425, 2010 · Cover article

    Paper
38. Asymmetric charge patterning on surfaces and interfaces: formation of hexagonal domainsS. M. Loverde, M. Olvera de la CruzJ. Chem. Phys. 127, 164707, 2007

    Paper
39. Charged particles on surfaces: coexistence of dilute phases and periodic structures at interfacesS. M. Loverde, F. J. Solis, M. Olvera de la CruzPhys. Rev. Lett. 98, 237802, 2007

    Paper
40. Competing interactions in two-dimensional Coulomb systems: surface charge heterogeneities in co-assembled cationic–anionic incompatible mixturesS. M. Loverde, Y. S. Velichko, M. Olvera de la CruzJ. Chem. Phys. 124, 144702, 2006

    Paper
41. Monte Carlo simulation of reversibly associating ideal chainsS. M. Loverde, A. V. Ermoshkin, M. Olvera de la CruzJ. Polym. Sci. B 43, 796–804, 2005

    Paper
42. Subloops, Barkhausen noise, and disorder induced critical behaviorJ. H. Carpenter, K. A. Dahmen, J. P. Sethna, G. Friedman, S. Loverde, A. VanderveldJ. Appl. Phys. 89, 6799–6801, 2001

    Paper

Book chapters and other

1. Ion condensation structure on patterned surfacesY. S. Velichko, F. J. Solis, S. M. Loverde, M. Olvera de la CruzarXiv:0704.3717 · preprint

   Preprint
2. Degradable poly(ethylene oxide)-block-polycaprolactone worm-like micelles: from phase transitions and molecular simulation to persistent circulation and shrinking tumorsN. S. Oltra, S. M. Loverde, T. Harada, A. Mahmud, K. Rajagopal, D. E. DischerIn Degradable Polymers and Materials, 2nd ed., ACS, 2012 · book chapter

   Chapter
3. Molecular modeling for micellar drug deliveryM. Kang, D. Lam*, D. E. Discher, S. M. LoverdeIn Computational Pharmaceutics, Wiley, 2015 · book chapter

   Chapter

Open software and trajectories

Most of our papers come with analysis code on GitHub and, where size allows, trajectories on Zenodo, in line with FAIR principles for biomolecular simulation.

Python · trajectory analysis

CONDACT

Conditional activity analysis. Kinetic mapping of changes in the dihedral-angle states of protein side chains and the DNA sugar–base torsion, revealing how motions in one part of a complex are coupled to another. Requires long MD trajectories.

GitHubTrajectoriesJCIM 2026

All repositories on GitHub →

Software

Paper repositories

Teaching and student tools

Simulation engines we use

• GROMACS
• AMBER
• NAMD
• LAMMPS
• Anton 3
• SIRAH
• Martini 3

Join the lab

We are looking for motivated students who want to learn molecular simulation. A background in chemistry, biochemistry, physics, or computer science is enough to start.

PhD rotations

Rotation students learn to set up, run, and analyze all-atom or coarse-grained simulations with GROMACS, AMBER, NAMD, or LAMMPS, and to work on the CUNY High Performance Computing Center and NSF ACCESS supercomputers. Most rotation projects connect to an active paper.

Prospective graduate students

Apply to the PhD programs in Chemistry, Biochemistry, or Physics at the CUNY Graduate Center, and email Prof. Loverde to discuss projects. Students in the lab have held NanoBioNYC, MolSSI Software, CUNY Dissertation, and Flatiron Institute fellowships.

Fellowships and outside funding

We welcome graduate students and postdocs who want to pursue their own funding, and we provide feedback and guidance throughout the application. US citizens and permanent residents are eligible for NIH NRSA F31 graduate and F32 postdoctoral fellowships and for the NSF Graduate Research Fellowship.

Undergraduates and high school students

We involve talented undergraduates and high school students from the New York area in our research. A strong interest in computers and a willingness to learn are all you need. CSI students in Chemistry, Biochemistry, Biology, and Computer Science join during the semester and over the summer, and several have co-authored our papers.

How to apply

Email Prof. Loverde with your CV or résumé and a few sentences about what interests you.

Teaching

Undergraduate chemistry at the College of Staten Island and graduate courses in polymer chemistry, physical biochemistry, and computational physics at the CUNY Graduate Center.

Courses

Course materials: Introduction to molecular dynamics of polymers (CHEM 73000, class 5).

By semester

Outreach

We bring computational chemistry to New York City high school students and teachers, and we run hands-on training for graduate students across CUNY.

• Oct 2023Python and HPC workshop. In-person introduction to Python and the CUNY High Performance Computing Center, co-organized with the NSF NanoBioNYC NRT, Prof. Mateusz Marianski (Hunter College), and Dr. Alex Tzanov (CUNY HPCC). Workshop materials · CUNY HPCC · Marianski Group
• Jul 2023Introduction to computational chemistry for local high school students.
• Feb 2023Hunter College High School research class visited the lab.
• Oct 2022Virtual introduction to computational chemistry for Hunter College High School.
• May 2019Computational molecular modeling workshop at CSI for high school students and teachers from Hunter College High School, Staten Island Tech, and Fort Hamilton High School.

Guest lectures

Scientists from industry, government, and academia visit our courses to share their research and career paths.

Introduction to Computational Chemistry

• 3 Apr 2025Dr. Martin Vögele, Schrödinger. Visited the class and met with our students.

Polymer Chemistry (CHEM 73000)

• 3 Nov 2026Dr. Gervasio Zaldivar, de Pablo Lab, NYU Tandon School of Engineering. “How to Make Polymers Machine-Readable: An Introduction to G2RINS.”
• 5 Dec 2023Dr. Ashish Punia, Merck. “Polymeric amorphous solid dispersions in pharmaceutical drug product development.”
• 5 Dec 2023Dr. Michelle Seitz, U.S. Department of Energy (AAAS Science and Technology Policy Fellow). “A Case Study on the Morphology of Silicone Hydrogels.”

High school researchers

High school students have spent summers in the lab since 2013, several returning for multiple years. Their work has led to co-authored papers, a Regeneron Science Talent Search semifinalist, and internships at D. E. Shaw Research. Alumni have gone on to Harvard, Columbia, Harvey Mudd, and NYU.

News

2025–2026

• Oct 2026Prof. Loverde gave a talk, “Rational Design of Anti-Cancer Drug Loading in Peptide Coacervates Using Interfacial Structure from Martini 3,” presenting Tania Rajpersaud's work, and Joel Gallardo presented a poster at the workshop Coarse-Graining in the Age of Machine Learning and Molecular Design at ENS de Lyon.
• 2026Rutika Patel started a postdoc with Prof. Alisha Jones at NYU, working on RNA.
• 2026Julie Liu and Quan Tang joined the group.
• 2026Prof. Loverde and Prisca visited Prof. Emmanuelle Bignon in Nancy to discuss nucleosomes, then spoke at the CECAM workshop Decoding Allostery in Protein–Nucleic Acid Complexes: The AI Revolution in Paris. Prof. Loverde gave the talk “When DNA Breathes: Sequence-Dependent Allostery in Nucleosome Dynamics and Transcription Factor Binding,” and Prisca Baah presented “Dynamic effects of oncogenic mutations in the tail and core regions of the nucleosome core particle.”
• 2026Rutika Patel was recognized for her thesis at the Graduate Center's Inside the Graduate Center: A Dissertation Showcase.
• 2026Augustine Onyema (Mapping Nucleosome Stability) and Rutika Patel (Computational Insights into Nucleosome Dynamics in Epigenetics) defended their PhD theses. Augustine began a postdoc at the University of Texas Medical Branch on machine learning for human health.
• 2026Joel Gallardo attended a Martini 3 workshop in Greece and presented a poster.
• Mar 2026Prof. Loverde presented “Multiscale Molecular Simulations Reveal Kinetic Allostery in the Nucleosome” at OpenEye's CUP XXV meeting in Santa Fe, New Mexico.
• 2025Prof. Loverde began visiting the group of Prof. Juan de Pablo at NYU Chemical and Biomolecular Engineering.
• 2025Tania Rajpersaud spoke in the Fall 2025 ACS session on coarse-grained simulations for pharmaceutical applications.
• 2025Prisca Baah joined the group.
• 2025Augustine Onyema received a summer internship in cheminformatics and machine learning.
• 2025Chris DiForte defended his PhD and joined Thermo Fisher.

2024

• 2024Abhik Ghosh Moulick started a new position in Germany.
• 2024Prof. Loverde co-organized the CECAM workshop Frontiers of Coarse-Grained Models: From New Developments to Modeling Dynamics, Assemblies, and Macromolecular Machines in Lyon, France.
• 2024Joel Gallardo joined the lab through NSF NanoBioNYC.
• 2024Rutika Patel received a summer internship at the Flatiron Institute.
• 2024Phu Tang joined OpenEye Scientific.
• 2024Augustine completed his MolSSI Software Fellowship and received a CUNY Dissertation Fellowship.

2020–2023

• 2021Phu Tang graduated and joined the Flatiron Institute.
• 2020–2023Augustine, Rutika, Tania, and Chris (co-advised with Prof. Poget) joined the group. Prabir Khatua joined, then left for a faculty position in India. Abhik Ghosh Moulick joined as a postdoc.

2017–2019

• Nov 2019Kaushik Chakraborty joined CubeBio AI.
• Jun 2019Anjela Manandhar defended her PhD thesis on simulations of self-assemblies.
• 2018–19Sabbatical visits to Northwestern, Nagoya University, and Princeton, with invited talks at several universities.
• Nov 2018Kaushik Chakraborty's paper on histone tails in nucleosome repositioning accepted in J. Phys. Chem. B.
• Jul 2018Invited talk at the World Congress in Computational Mechanics, New York.
• Apr 2018Prof. Loverde received an NSF CAREER Award.
• Aug 2017Mihaela Drenscko defended her PhD thesis. The group gave five talks and a poster at the ACS National Meeting in Washington, DC, where Prof. Loverde co-organized a symposium on polymer materials simulation.
• Jul 2017Kaushik's paper on nucleosomal DNA breathing accepted in J. Chem. Phys.
• Jan 2017High school researcher Serina Hu named a Regeneron Science Talent Search semifinalist.

Support

We are grateful for support from these agencies, programs, and computing centers.

Funding

Computing resources

Get in touch