Aditi S. Krishnapriyan - Publications, H-index & Citations

Aditi S. Krishnapriyan

Lawrence Berkeley National Laboratory

10H指数

71论文数

915被引数

收录论文 17

发表时间

Flow matching for generative modelling in bioinformatics and computational biology 生物信息学和计算生物学中生成建模的流匹配

Nature Machine Intelligence

IF23.9

2026-04-23

PREAI

Alex Morehead; Lazar Atanackovic; Akshata Hegde; Yanli Wang; Frimpong Boadu; Joel Selvaraj; Alexander Tong; Aditi Krishnapriyan; Jianlin Cheng

Foundation models for atomistic simulation of chemistry and materials 化学和材料的原子模拟的基础模型

Nature Reviews Chemistry

IF51.7

2026-02-11

PREAI

Eric 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

General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design

Journal of Chemical Information and Modeling

IF5.3

2026-01-25

PREAI

Yue Jian; Curtis Wu; Danny Reidenbach; Aditi S. Krishnapriyan

Understanding and mitigating distribution shifts for universal machine learning interatomic potentials 理解并缓解通用机器学习原子间势能函数中的分布偏移

Digital Discovery

IF5.6

2025-12-17

OAAI

Tobias Kreiman; Aditi S. Krishnapriyan

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-12-17

OAAI

Reidenbach, Danny; Krishnapriyan, Aditi S.

Physics-informed heterogeneous graph neural networks for DC blocker placement

ELECTRIC POWER SYSTEMS RESEARCH

IF4.2

2024-10-01

OAAI

Jin, Hongwei; Balaprakash, Prasanna; Zou, Allen; Ghysels, Pieter; Krishnapriyan, Aditi S.; Mate, Adam; Barnes, Arthur; Bent, Russell

Investigating the behavior of diffusion models for accelerating electronic structure calculations

CHEMICAL SCIENCE

IF7.4

2024-01-01

OAAI

Rothchild, Daniel; Rosen, Andrew S.; Taw, Eric; Robinson, Connie; Gonzalez, Joseph E.; Krishnapriyan, Aditi S.

Learning continuous models for continuous physics

COMMUNICATIONS PHYSICS

IF5.8

2023-11-03

OAAI

Krishnapriyan, Aditi S.; Queiruga, Alejandro F.; Erichson, N. Benjamin; Mahoney, Michael W.

An Ecosystem for Digital Reticular Chemistry 数字网状化学的生态系统

ACS CENTRAL SCIENCE

IF10.4

2023-03-10

OAAI

Jablonka, Kevin Maik; Rosen, Andrew S.; Krishnapriyan, Aditi S.; Smit, Berend

Chemical reaction networks and opportunities for machine learning 化学反应网络和机器学习的机会

NATURE COMPUTATIONAL SCIENCE

IF18.3

2023-01-16

PREAI

Wen, Mingjian; Spotte-Smith, Evan Walter Clark; Blau, Samuel M.; McDermott, Matthew J.; Krishnapriyan, Aditi S.; Persson, Kristin A.

Spectrum of Exfoliable 1D van der Waals Molecular Wires and Their Electronic Properties 可剥离一维范德华分子线的光谱及其电子性质

ACS NANO

IF16

2021-05-28

PREAI

Zhu, Yanbing; Rehn, Daniel A.; Antoniuk, Evan R.; Cheon, Gowoon; Freitas, Rodrigo; Krishnapriyan, Aditi; Reed, Evan J.

Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks

SCIENTIFIC REPORTS

IF3.9

2021-04-26

OAAI

Krishnapriyan, Aditi S.; Montoya, Joseph; Haranczyk, Maciej; Hummelshoj, Jens; Morozov, Dmitriy

Topological Descriptors Help Predict Guest Adsorption in Nanoporous Materials

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2020-04-06

OAAI

Krishnapriyan, Aditi S.; Haranczyk, Maciej; Morozov, Dmitriy

New Assembly-Free Bulk Layered Inorganic Vertical Heterostructures with Infrared and Optical Bandgaps

NANO LETTERS

IF9.1

2018-12-10

PREAI

Antoniuk, Evan R.; Cheon, Gowoon; Krishnapriyan, Aditi; Rehn, Daniel A.; Zhou, Yao; Reed, Evan J.

Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-11-07

OAAI

Krishnapriyan, A.; Yang, P.; Nildasson, A. M. N.; Cawkwell, M. J.

Electronic structure study of the CdS buffer layer in CIGS solar cells by X-ray absorption spectroscopy: Experiment and theory

SOLAR ENERGY MATERIALS AND SOLAR CELLS

IF6.3

2016-05-01

OAAI

Schwartz, Craig; Nordlund, Dennis; Weng, Tsu-Chien; Sokaras, Dimosthenis; Mansfield, Lorelle; Krishnapriyan, Aditi S.; Ramanathan, Kannan; Hurst, Katherine E.; Prendergast, David; Christensen, Steven T.

On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A = K, Rb, Cs)

INORGANIC CHEMISTRY

IF4.7

2013-07-03

PREAI

Miao, Maosheng; Brgoch, Jakoah; Krishnapriyan, Aditi; Goldman, Abby; Kurzman, Joshua A.; Seshadri, Ram

研究方向