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Aditi S. Krishnapriyan

Lawrence Berkeley National Laboratory

10H-index
71Paper Count
915Citation Count
Published Papers 17
Publication Date
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Flow matching for generative modelling in bioinformatics and computational biology
errNature Machine Intelligence
IF23.9
err2026-04-23
err0
PREAI
errAlex Morehead; Lazar Atanackovic; Akshata Hegde; Yanli Wang; Frimpong Boadu; Joel Selvaraj; Alexander Tong; Aditi Krishnapriyan; Jianlin Cheng
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Foundation models for atomistic simulation of chemistry and materials
errNature Reviews Chemistry
IF51.7
err2026-02-11
err0
PREAI
errEric C.-Y. Yuan; Yunsheng Liu; Junmin Chen; Peichen Zhong; Sanjeev Raja; Tobias Kreiman; Santiago Vargas; Wenbin Xu; Martin Head-Gordon; Chao Yang; Samuel M. Blau; Bingqing Cheng; Aditi Krishnapriyan; Teresa Head-Gordon
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General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-25
err0
PREAI
errYue Jian; Curtis Wu; Danny Reidenbach; Aditi S. Krishnapriyan
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Understanding and mitigating distribution shifts for universal machine learning interatomic potentials
errDigital Discovery
IF5.6
err2025-12-17
err0
errOAAI
errTobias Kreiman; Aditi S. Krishnapriyan
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CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-17
err0
errOAAI
errReidenbach, Danny; Krishnapriyan, Aditi S.
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Physics-informed heterogeneous graph neural networks for DC blocker placement
errELECTRIC POWER SYSTEMS RESEARCH
IF4.2
err2024-10-01
err0
errOAAI
errJin, Hongwei; Balaprakash, Prasanna; Zou, Allen; Ghysels, Pieter; Krishnapriyan, Aditi S.; Mate, Adam; Barnes, Arthur; Bent, Russell
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Investigating the behavior of diffusion models for accelerating electronic structure calculations
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errRothchild, Daniel; Rosen, Andrew S.; Taw, Eric; Robinson, Connie; Gonzalez, Joseph E.; Krishnapriyan, Aditi S.
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Learning continuous models for continuous physics
errCOMMUNICATIONS PHYSICS
IF5.8
err2023-11-03
err3
errOAAI
errKrishnapriyan, Aditi S.; Queiruga, Alejandro F.; Erichson, N. Benjamin; Mahoney, Michael W.
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An Ecosystem for Digital Reticular Chemistry
errACS CENTRAL SCIENCE
IF10.4
err2023-03-10
err19
errOAAI
errJablonka, Kevin Maik; Rosen, Andrew S.; Krishnapriyan, Aditi S.; Smit, Berend
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Chemical reaction networks and opportunities for machine learning
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-01-16
err42
PREAI
errWen, Mingjian; Spotte-Smith, Evan Walter Clark; Blau, Samuel M.; McDermott, Matthew J.; Krishnapriyan, Aditi S.; Persson, Kristin A.
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Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties
errACS NANO
IF16
err2021-05-28
err23
PREAI
errZhu, Yanbing; Rehn, Daniel A.; Antoniuk, Evan R.; Cheon, Gowoon; Freitas, Rodrigo; Krishnapriyan, Aditi; Reed, Evan J.
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Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks
errSCIENTIFIC REPORTS
IF3.9
err2021-04-26
err61
errOAAI
errKrishnapriyan, Aditi S.; Montoya, Joseph; Haranczyk, Maciej; Hummelshoj, Jens; Morozov, Dmitriy
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Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-04-06
err45
errOAAI
errKrishnapriyan, Aditi S.; Haranczyk, Maciej; Morozov, Dmitriy
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New Assembly-Free Bulk Layered Inorganic Vertical Heterostructures with Infrared and Optical Bandgaps
errNANO LETTERS
IF9.1
err2018-12-10
err4
PREAI
errAntoniuk, Evan R.; Cheon, Gowoon; Krishnapriyan, Aditi; Rehn, Daniel A.; Zhou, Yao; Reed, Evan J.
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Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-11-07
err37
errOAAI
errKrishnapriyan, A.; Yang, P.; Nildasson, A. M. N.; Cawkwell, M. J.
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Electronic structure study of the CdS buffer layer in CIGS solar cells by X-ray absorption spectroscopy: Experiment and theory
errSOLAR ENERGY MATERIALS AND SOLAR CELLS
IF6.3
err2016-05-01
err19
errOAAI
errSchwartz, Craig; Nordlund, Dennis; Weng, Tsu-Chien; Sokaras, Dimosthenis; Mansfield, Lorelle; Krishnapriyan, Aditi S.; Ramanathan, Kannan; Hurst, Katherine E.; Prendergast, David; Christensen, Steven T.
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On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs)
errINORGANIC CHEMISTRY
IF4.7
err2013-07-03
err33
PREAI
errMiao, Maosheng; Brgoch, Jakoah; Krishnapriyan, Aditi; Goldman, Abby; Kurzman, Joshua A.; Seshadri, Ram
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Research Directions

The data has not been retrieved yet.
Co-authors
Cooperation Journals
M
Martin Head‐Gordon
H-index: 130 · Papers: 1.0K
B
Berend Smit
H-index: 121 · Papers: 794
K
Kristin A. Persson
H-index: 111 · Papers: 725
D
Dennis Nordlund
H-index: 85 · Papers: 536
J
Jianlin Cheng
H-index: 67 · Papers: 517
View more